8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate

C151H204BrCl3F3N17O39P2S2 — CID 157368389

IUPAC8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3coc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3coc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC.CC(C)(OC(=O)O/P=N/P)C(F)(F)F.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)co1.CC1(OS(N)(=O)=O)CC1
InChIInChI=1S/2C45H60ClN5O10.C31H42BrNO9S.C21H25ClN4O4.C5H8F3NO3P2.C4H9NO3S/c2*1-10-27-22-45(27,41(55)56)23-34(52)33-19-28(24-51(33)40(54)30(43(4,5)6)20-37(53)61-44(7,8)9)60-36-21-31(32-25-59-42(49-32)47-26(2)3)48-39-29(36)11-12-35(38(39)46)58-18-15-50-13-16-57-17-14-50;1-9-19-16-31(19,28(37)40-8)17-25(34)24-14-21(42-43(38,39)22-12-10-20(32)11-13-22)18-33(24)27(36)23(29(2,3)4)15-26(35)41-30(5,6)7;1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;1-4(2,5(6,7)8)11-3(10)12-14-9-13;1-4(2-3-4)8-9(5,6)7/h2*10-12,21,25-28,30,33H,1,13-20,22-24H2,2-9H3,(H,47,49)(H,55,56);9-13,19,21,23-24H,1,14-18H2,2-8H3;3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);13H2,1-2H3;2-3H2,1H3,(H2,5,6,7)/t2*27-,28-,30-,33+,45-;19-,21+,23-,24+,31-;;;/m111.../s1
InChIKeyBJLOVOGELIPQGH-QKPAHRKISA-N
MW3250.71 g/mol
LogP25.39
Rot. Bonds56

About 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate

8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate (PubChem CID 157368389) has the molecular formula C151H204BrCl3F3N17O39P2S2 and a molecular weight of 3250.71 g/mol. Its IUPAC name is 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate
PubChem CID157368389
Molecular FormulaC151H204BrCl3F3N17O39P2S2
Molecular Weight3250.71 g/mol
Exact Mass3246.16
IUPAC Name8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3coc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3coc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC.CC(C)(OC(=O)O/P=N/P)C(F)(F)F.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)co1.CC1(OS(N)(=O)=O)CC1
InChIInChI=1S/2C45H60ClN5O10.C31H42BrNO9S.C21H25ClN4O4.C5H8F3NO3P2.C4H9NO3S/c2*1-10-27-22-45(27,41(55)56)23-34(52)33-19-28(24-51(33)40(54)30(43(4,5)6)20-37(53)61-44(7,8)9)60-36-21-31(32-25-59-42(49-32)47-26(2)3)48-39-29(36)11-12-35(38(39)46)58-18-15-50-13-16-57-17-14-50;1-9-19-16-31(19,28(37)40-8)17-25(34)24-14-21(42-43(38,39)22-12-10-20(32)11-13-22)18-33(24)27(36)23(29(2,3)4)15-26(35)41-30(5,6)7;1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;1-4(2,5(6,7)8)11-3(10)12-14-9-13;1-4(2-3-4)8-9(5,6)7/h2*10-12,21,25-28,30,33H,1,13-20,22-24H2,2-9H3,(H,47,49)(H,55,56);9-13,19,21,23-24H,1,14-18H2,2-8H3;3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);13H2,1-2H3;2-3H2,1H3,(H2,5,6,7)/t2*27-,28-,30-,33+,45-;19-,21+,23-,24+,31-;;;/m111.../s1
InChIKeyBJLOVOGELIPQGH-QKPAHRKISA-N
XLogP25.39
TPSA708.97 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds56
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003250.71
LogP ≤ 525.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate (CID 157368389) is 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate is C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3coc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3coc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC.CC(C)(OC(=O)O/P=N/P)C(F)(F)F.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)co1.CC1(OS(N)(=O)=O)CC1.
What is the InChIKey of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate?
The InChIKey is BJLOVOGELIPQGH-QKPAHRKISA-N. The full InChI is InChI=1S/2C45H60ClN5O10.C31H42BrNO9S.C21H25ClN4O4.C5H8F3NO3P2.C4H9NO3S/c2*1-10-27-22-45(27,41(55)56)23-34(52)33-19-28(24-51(33)40(54)30(43(4,5)6)20-37(53)61-44(7,8)9)60-36-21-31(32-25-59-42(49-32)47-26(2)3)48-39-29(36)11-12-35(38(39)46)58-18-15-50-13-16-57-17-14-50;1-9-19-16-31(19,28(37)40-8)17-25(34)24-14-21(42-43(38,39)22-12-10-20(32)11-13-22)18-33(24)27(36)23(29(2,3)4)15-26(35)41-30(5,6)7;1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;1-4(2,5(6,7)8)11-3(10)12-14-9-13;1-4(2-3-4)8-9(5,6)7/h2*10-12,21,25-28,30,33H,1,13-20,22-24H2,2-9H3,(H,47,49)(H,55,56);9-13,19,21,23-24H,1,14-18H2,2-8H3;3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);13H2,1-2H3;2-3H2,1H3,(H2,5,6,7)/t2*27-,28-,30-,33+,45-;19-,21+,23-,24+,31-;;;/m111.../s1.
What are the key properties of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate?
8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate has a molecular weight of 3250.71 g/mol, XLogP of 25.39, 56 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-1H-quinolin-4-one;(1-methylcyclopropyl) sulfamate;phosphanyliminophosphanyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate;bis(trans-(1R,2S)-1-[2-[(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)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid);trans-methyl (1R,2S)-1-[2-[(2S,4S)-4-(4-bromophenyl)sulfonyloxy-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 157368389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).