8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate

C177H237BrCl4N18O41S — CID 158501278

IUPAC8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
SMILESCC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCC(OC)OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)O.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.COC(COc1ccc2c(=O)cc(C=C(C)C)[nH]c2c1Cl)OC
InChIInChI=1S/C44H60ClN5O9.C43H58ClN5O9.C42H57ClN4O10.C31H42BrN3O9S.C17H20ClNO4/c1-8-28-23-44(28,41(53)55-7)48-39(51)33-22-31(24-50(33)40(52)38(43(4,5)6)47-42(54)59-30-19-26-18-27(26)20-30)58-35-21-29(17-25(2)3)46-37-32(35)9-10-34(36(37)45)57-16-13-49-11-14-56-15-12-49;1-7-27-22-43(27,40(52)53)47-38(50)32-21-30(23-49(32)39(51)37(42(4,5)6)46-41(54)58-29-18-25-17-26(25)19-29)57-34-20-28(16-24(2)3)45-36-31(34)8-9-33(35(36)44)56-15-12-48-10-13-55-14-11-48;1-10-25-19-42(25,39(50)54-9)46-37(48)30-18-28(20-47(30)38(49)36(41(4,5)6)45-40(51)57-27-15-23-14-24(23)16-27)56-32-17-26(13-22(2)3)44-35-29(32)11-12-31(34(35)43)55-21-33(52-7)53-8;1-6-19-15-31(19,28(38)42-5)34-26(36)24-14-22(44-45(40,41)23-9-7-20(32)8-10-23)16-35(24)27(37)25(30(2,3)4)33-29(39)43-21-12-17-11-18(17)13-21;1-10(2)7-11-8-13(20)12-5-6-14(16(18)17(12)19-11)23-9-15(21-3)22-4/h9-10,17,21,26-28,30-31,33,38H,8,11-16,18-20,22-24H2,1-7H3,(H,47,54)(H,48,51);8-9,16,20,25-27,29-30,32,37H,7,10-15,17-19,21-23H2,1-6H3,(H,46,54)(H,47,50)(H,52,53);11-13,17,23-25,27-28,30,33,36H,10,14-16,18-21H2,1-9H3,(H,45,51)(H,46,48);7-10,17-19,21-22,24-25H,6,11-16H2,1-5H3,(H,33,39)(H,34,36);5-8,15H,9H2,1-4H3,(H,19,20)/t26-,27+,28-,30?,31-,33+,38-,44-;25-,26+,27-,29?,30-,32+,37-,43-;23-,24+,25-,27?,28-,30+,36-,42-;17-,18+,19-,21?,22+,24+,25-,31-;/m1111./s1
InChIKeyHJXQPUHIWYTNTN-NSGIJLGRSA-N
MW3526.71 g/mol
LogP24.63
Rot. Bonds59

About 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate

8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate (PubChem CID 158501278) has the molecular formula C177H237BrCl4N18O41S and a molecular weight of 3526.71 g/mol. Its IUPAC name is 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
PubChem CID158501278
Molecular FormulaC177H237BrCl4N18O41S
Molecular Weight3526.71 g/mol
Exact Mass3521.47
IUPAC Name8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
SMILESCC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCC(OC)OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)O.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.COC(COc1ccc2c(=O)cc(C=C(C)C)[nH]c2c1Cl)OC
InChIInChI=1S/C44H60ClN5O9.C43H58ClN5O9.C42H57ClN4O10.C31H42BrN3O9S.C17H20ClNO4/c1-8-28-23-44(28,41(53)55-7)48-39(51)33-22-31(24-50(33)40(52)38(43(4,5)6)47-42(54)59-30-19-26-18-27(26)20-30)58-35-21-29(17-25(2)3)46-37-32(35)9-10-34(36(37)45)57-16-13-49-11-14-56-15-12-49;1-7-27-22-43(27,40(52)53)47-38(50)32-21-30(23-49(32)39(51)37(42(4,5)6)46-41(54)58-29-18-25-17-26(25)19-29)57-34-20-28(16-24(2)3)45-36-31(34)8-9-33(35(36)44)56-15-12-48-10-13-55-14-11-48;1-10-25-19-42(25,39(50)54-9)46-37(48)30-18-28(20-47(30)38(49)36(41(4,5)6)45-40(51)57-27-15-23-14-24(23)16-27)56-32-17-26(13-22(2)3)44-35-29(32)11-12-31(34(35)43)55-21-33(52-7)53-8;1-6-19-15-31(19,28(38)42-5)34-26(36)24-14-22(44-45(40,41)23-9-7-20(32)8-10-23)16-35(24)27(37)25(30(2,3)4)33-29(39)43-21-12-17-11-18(17)13-21;1-10(2)7-11-8-13(20)12-5-6-14(16(18)17(12)19-11)23-9-15(21-3)22-4/h9-10,17,21,26-28,30-31,33,38H,8,11-16,18-20,22-24H2,1-7H3,(H,47,54)(H,48,51);8-9,16,20,25-27,29-30,32,37H,7,10-15,17-19,21-23H2,1-6H3,(H,46,54)(H,47,50)(H,52,53);11-13,17,23-25,27-28,30,33,36H,10,14-16,18-21H2,1-9H3,(H,45,51)(H,46,48);7-10,17-19,21-22,24-25H,6,11-16H2,1-5H3,(H,33,39)(H,34,36);5-8,15H,9H2,1-4H3,(H,19,20)/t26-,27+,28-,30?,31-,33+,38-,44-;25-,26+,27-,29?,30-,32+,37-,43-;23-,24+,25-,27?,28-,30+,36-,42-;17-,18+,19-,21?,22+,24+,25-,31-;/m1111./s1
InChIKeyHJXQPUHIWYTNTN-NSGIJLGRSA-N
XLogP24.63
TPSA708.53 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds59
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003526.71
LogP ≤ 524.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

8-chloro-7-(2-methoxyethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]-1H-quinolin-4-one;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-methoxyethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
CID 161448277
lithium;8-chloro-7-methoxy-2-[5-methyl-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;trans-(1R,2S)-1-[[(4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[5-methyl-2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid;trans-methyl (1R,2S)-1-[[(4S)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate;trans-methyl (1R,2S)-1-[[(4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[5-methyl-2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate;hydroxide
CID 158491085
trans-(1R,2R)-1-[[(4R)-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[[(1S,3R)-3-methylcyclopentyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 129184896
trans-(1R,2R)-1-[[(2S,4R)-4-[2-(6-amino-2-pyridinyl)-8-chloro-7-methoxyquinolin-4-yl]oxy-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 25167405
trans-(1R,2R)-1-[[1-[(2S)-2-[[(1R,5S)-bicyclo[3.1.0]hexane-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-piperidin-1-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 71594376
trans-(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-piperidin-1-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 25168749
trans-(1R,2S)-1-[[(2S,4R)-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-[[(3R)-3,4-dimethylcyclopentyl]oxycarbonylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 89418952
trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3-methylbut-3-enoyl]-4-[8-chloro-2,7-bis(2-methoxyethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 89418893
[(1R,5S)-3-bicyclo[3.1.0]hexanyl] N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[8-chloro-2-(1H-imidazol-2-ylsulfanyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 129195733
methyl (2S)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-piperazin-1-ylethoxy)-2-[2-(propan-2-ylamino)-4,5-dihydro-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
CID 88583746
(2S)-1-[[(2S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 129195057
trans-(1R,2S)-1-[[(2S)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 129195736

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate?
The IUPAC name of 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate (CID 158501278) is 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate.
What is the SMILES notation for 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate?
The canonical SMILES for 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate is CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCC(OC)OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)O.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C=C(C)C)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](NC(=O)OC1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)OC.COC(COc1ccc2c(=O)cc(C=C(C)C)[nH]c2c1Cl)OC.
What is the InChIKey of 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate?
The InChIKey is HJXQPUHIWYTNTN-NSGIJLGRSA-N. The full InChI is InChI=1S/C44H60ClN5O9.C43H58ClN5O9.C42H57ClN4O10.C31H42BrN3O9S.C17H20ClNO4/c1-8-28-23-44(28,41(53)55-7)48-39(51)33-22-31(24-50(33)40(52)38(43(4,5)6)47-42(54)59-30-19-26-18-27(26)20-30)58-35-21-29(17-25(2)3)46-37-32(35)9-10-34(36(37)45)57-16-13-49-11-14-56-15-12-49;1-7-27-22-43(27,40(52)53)47-38(50)32-21-30(23-49(32)39(51)37(42(4,5)6)46-41(54)58-29-18-25-17-26(25)19-29)57-34-20-28(16-24(2)3)45-36-31(34)8-9-33(35(36)44)56-15-12-48-10-13-55-14-11-48;1-10-25-19-42(25,39(50)54-9)46-37(48)30-18-28(20-47(30)38(49)36(41(4,5)6)45-40(51)57-27-15-23-14-24(23)16-27)56-32-17-26(13-22(2)3)44-35-29(32)11-12-31(34(35)43)55-21-33(52-7)53-8;1-6-19-15-31(19,28(38)42-5)34-26(36)24-14-22(44-45(40,41)23-9-7-20(32)8-10-23)16-35(24)27(37)25(30(2,3)4)33-29(39)43-21-12-17-11-18(17)13-21;1-10(2)7-11-8-13(20)12-5-6-14(16(18)17(12)19-11)23-9-15(21-3)22-4/h9-10,17,21,26-28,30-31,33,38H,8,11-16,18-20,22-24H2,1-7H3,(H,47,54)(H,48,51);8-9,16,20,25-27,29-30,32,37H,7,10-15,17-19,21-23H2,1-6H3,(H,46,54)(H,47,50)(H,52,53);11-13,17,23-25,27-28,30,33,36H,10,14-16,18-21H2,1-9H3,(H,45,51)(H,46,48);7-10,17-19,21-22,24-25H,6,11-16H2,1-5H3,(H,33,39)(H,34,36);5-8,15H,9H2,1-4H3,(H,19,20)/t26-,27+,28-,30?,31-,33+,38-,44-;25-,26+,27-,29?,30-,32+,37-,43-;23-,24+,25-,27?,28-,30+,36-,42-;17-,18+,19-,21?,22+,24+,25-,31-;/m1111./s1.
What are the key properties of 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate?
8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate has a molecular weight of 3526.71 g/mol, XLogP of 24.63, 59 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)-1H-quinolin-4-one;trans-(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;trans-methyl (1R,2R)-1-[[(2S,4S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2,2-dimethoxyethoxy)-2-(2-methylprop-1-enyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate;trans-methyl (1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-2-(2-methylprop-1-enyl)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate is sourced from PubChem (CID 158501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).