1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate

C241H229F4N13O39S — CID 158517322

IUPAC1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate
SMILESCOc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccccc5)CC4)cc3F)ccnc2cc1OCCCN1CC(O)C2(CC2)C1.COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccnc2cc1OC1COC2(CC2)C1.CS(=O)(=O)OC1(CCCOc2ccc3c(Oc4ccc(CC(=O)C5(C(=O)Cc6ccccc6)CC5)nc4)ccnc3c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC5COC6(CC6)C5)ccc34)cn2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OCCCC5(O)CC5)ccc34)c(F)c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC[C@H]5CCC6(CC6)O5)ccc34)c(F)c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC[C@H]5CCC6(CC6)O5)ccc34)cn2)CC1
InChIInChI=1S/C38H39FN2O6.C35H32FNO5.C34H32FNO5.C34H34N2O7S.C34H32N2O5.C33H30FN3O6.C33H30N2O5/c1-45-32-21-27-29(22-33(32)46-17-5-16-41-23-36(44)37(24-41)11-12-37)40-15-10-30(27)47-31-9-8-26(18-28(31)39)20-35(43)38(13-14-38)34(42)19-25-6-3-2-4-7-25;36-28-18-24(20-33(39)35(15-16-35)32(38)19-23-4-2-1-3-5-23)6-9-31(28)41-30-11-17-37-29-21-25(7-8-27(29)30)40-22-26-10-12-34(42-26)13-14-34;35-27-19-24(21-32(38)34(15-16-34)31(37)20-23-5-2-1-3-6-23)7-10-30(27)41-29-11-17-36-28-22-25(8-9-26(28)29)40-18-4-12-33(39)13-14-33;1-44(39,40)43-33(14-15-33)13-5-19-41-26-10-11-28-29(22-26)35-18-12-30(28)42-27-9-8-25(36-23-27)21-32(38)34(16-17-34)31(37)20-24-6-3-2-4-7-24;37-31(18-23-4-2-1-3-5-23)34(15-16-34)32(38)19-24-6-7-26(21-36-24)40-30-11-17-35-29-20-25(8-9-28(29)30)39-22-27-10-12-33(41-27)13-14-33;1-40-28-16-23-25(17-29(28)42-22-18-32(10-11-32)41-19-22)35-14-9-26(23)43-27-8-7-21(15-24(27)34)37-31(39)33(12-13-33)30(38)36-20-5-3-2-4-6-20;36-30(16-22-4-2-1-3-5-22)33(13-14-33)31(37)17-23-6-7-25(20-35-23)40-29-10-15-34-28-18-24(8-9-27(28)29)39-26-19-32(11-12-32)38-21-26/h2-4,6-10,15,18,21-22,36,44H,5,11-14,16-17,19-20,23-24H2,1H3;1-9,11,17-18,21,26H,10,12-16,19-20,22H2;1-3,5-11,17,19,22,39H,4,12-16,18,20-21H2;2-4,6-12,18,22-23H,5,13-17,19-21H2,1H3;1-9,11,17,20-21,27H,10,12-16,18-19,22H2;2-9,14-17,22H,10-13,18-19H2,1H3,(H,36,38)(H,37,39);1-10,15,18,20,26H,11-14,16-17,19,21H2/t;26-;;;27-;;/m.1..1../s1
InChIKeyHLUCVYAFZWUMMI-YCMPAUOVSA-N
MW4039.59 g/mol
LogP43.69
Rot. Bonds83

About 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate

1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate (PubChem CID 158517322) has the molecular formula C241H229F4N13O39S and a molecular weight of 4039.59 g/mol. Its IUPAC name is 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate.

Molecular Properties

Compound Name1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate
PubChem CID158517322
Molecular FormulaC241H229F4N13O39S
Molecular Weight4039.59 g/mol
Exact Mass4036.60
IUPAC Name1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate
SMILESCOc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccccc5)CC4)cc3F)ccnc2cc1OCCCN1CC(O)C2(CC2)C1.COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccnc2cc1OC1COC2(CC2)C1.CS(=O)(=O)OC1(CCCOc2ccc3c(Oc4ccc(CC(=O)C5(C(=O)Cc6ccccc6)CC5)nc4)ccnc3c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC5COC6(CC6)C5)ccc34)cn2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OCCCC5(O)CC5)ccc34)c(F)c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC[C@H]5CCC6(CC6)O5)ccc34)c(F)c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC[C@H]5CCC6(CC6)O5)ccc34)cn2)CC1
InChIInChI=1S/C38H39FN2O6.C35H32FNO5.C34H32FNO5.C34H34N2O7S.C34H32N2O5.C33H30FN3O6.C33H30N2O5/c1-45-32-21-27-29(22-33(32)46-17-5-16-41-23-36(44)37(24-41)11-12-37)40-15-10-30(27)47-31-9-8-26(18-28(31)39)20-35(43)38(13-14-38)34(42)19-25-6-3-2-4-7-25;36-28-18-24(20-33(39)35(15-16-35)32(38)19-23-4-2-1-3-5-23)6-9-31(28)41-30-11-17-37-29-21-25(7-8-27(29)30)40-22-26-10-12-34(42-26)13-14-34;35-27-19-24(21-32(38)34(15-16-34)31(37)20-23-5-2-1-3-6-23)7-10-30(27)41-29-11-17-36-28-22-25(8-9-26(28)29)40-18-4-12-33(39)13-14-33;1-44(39,40)43-33(14-15-33)13-5-19-41-26-10-11-28-29(22-26)35-18-12-30(28)42-27-9-8-25(36-23-27)21-32(38)34(16-17-34)31(37)20-24-6-3-2-4-7-24;37-31(18-23-4-2-1-3-5-23)34(15-16-34)32(38)19-24-6-7-26(21-36-24)40-30-11-17-35-29-20-25(8-9-28(29)30)39-22-27-10-12-33(41-27)13-14-33;1-40-28-16-23-25(17-29(28)42-22-18-32(10-11-32)41-19-22)35-14-9-26(23)43-27-8-7-21(15-24(27)34)37-31(39)33(12-13-33)30(38)36-20-5-3-2-4-6-20;36-30(16-22-4-2-1-3-5-22)33(13-14-33)31(37)17-23-6-7-25(20-35-23)40-29-10-15-34-28-18-24(8-9-27(28)29)39-26-19-32(11-12-32)38-21-26/h2-4,6-10,15,18,21-22,36,44H,5,11-14,16-17,19-20,23-24H2,1H3;1-9,11,17-18,21,26H,10,12-16,19-20,22H2;1-3,5-11,17,19,22,39H,4,12-16,18,20-21H2;2-4,6-12,18,22-23H,5,13-17,19-21H2,1H3;1-9,11,17,20-21,27H,10,12-16,18-19,22H2;2-9,14-17,22H,10-13,18-19H2,1H3,(H,36,38)(H,37,39);1-10,15,18,20,26H,11-14,16-17,19,21H2/t;26-;;;27-;;/m.1..1../s1
InChIKeyHLUCVYAFZWUMMI-YCMPAUOVSA-N
XLogP43.69
TPSA663.61 Ų
H-Bond Donors4
H-Bond Acceptors50
Rotatable Bonds83
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004039.59
LogP ≤ 543.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1050

Analyze 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate with MolForge

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Related Compounds

1-N'-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 46203260
1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide
CID 157351701
1-N'-[3-fluoro-4-[6-methoxy-7-[3-(1-methylcyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 71106026
[5-[3-[4-[2-fluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]quinolin-7-yl]oxypropyl]-5-azaspiro[2.4]heptan-7-yl] 2-aminoacetate
CID 161353913
N-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-methylidene-2-phenylpyrazole-4-carboxamide
CID 89284174
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrate
CID 53385812
[1-[3-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]quinolin-7-yl]oxypropyl]azetidin-3-yl] 2-(dimethylamino)propanoate
CID 70854122
1-N'-[4-[7-(3-bromopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779111
1-N'-[4-[7-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 71140549
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949
1-N'-[4-[7-(4-azaspiro[2.4]heptan-5-ylmethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 163549744
1-[2-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]acetyl]-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 157081405

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate?
The IUPAC name of 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate (CID 158517322) is 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate.
What is the SMILES notation for 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate?
The canonical SMILES for 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate is COc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccccc5)CC4)cc3F)ccnc2cc1OCCCN1CC(O)C2(CC2)C1.COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccnc2cc1OC1COC2(CC2)C1.CS(=O)(=O)OC1(CCCOc2ccc3c(Oc4ccc(CC(=O)C5(C(=O)Cc6ccccc6)CC5)nc4)ccnc3c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC5COC6(CC6)C5)ccc34)cn2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OCCCC5(O)CC5)ccc34)c(F)c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC[C@H]5CCC6(CC6)O5)ccc34)c(F)c2)CC1.O=C(Cc1ccccc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OC[C@H]5CCC6(CC6)O5)ccc34)cn2)CC1.
What is the InChIKey of 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate?
The InChIKey is HLUCVYAFZWUMMI-YCMPAUOVSA-N. The full InChI is InChI=1S/C38H39FN2O6.C35H32FNO5.C34H32FNO5.C34H34N2O7S.C34H32N2O5.C33H30FN3O6.C33H30N2O5/c1-45-32-21-27-29(22-33(32)46-17-5-16-41-23-36(44)37(24-41)11-12-37)40-15-10-30(27)47-31-9-8-26(18-28(31)39)20-35(43)38(13-14-38)34(42)19-25-6-3-2-4-7-25;36-28-18-24(20-33(39)35(15-16-35)32(38)19-23-4-2-1-3-5-23)6-9-31(28)41-30-11-17-37-29-21-25(7-8-27(29)30)40-22-26-10-12-34(42-26)13-14-34;35-27-19-24(21-32(38)34(15-16-34)31(37)20-23-5-2-1-3-6-23)7-10-30(27)41-29-11-17-36-28-22-25(8-9-26(28)29)40-18-4-12-33(39)13-14-33;1-44(39,40)43-33(14-15-33)13-5-19-41-26-10-11-28-29(22-26)35-18-12-30(28)42-27-9-8-25(36-23-27)21-32(38)34(16-17-34)31(37)20-24-6-3-2-4-7-24;37-31(18-23-4-2-1-3-5-23)34(15-16-34)32(38)19-24-6-7-26(21-36-24)40-30-11-17-35-29-20-25(8-9-28(29)30)39-22-27-10-12-33(41-27)13-14-33;1-40-28-16-23-25(17-29(28)42-22-18-32(10-11-32)41-19-22)35-14-9-26(23)43-27-8-7-21(15-24(27)34)37-31(39)33(12-13-33)30(38)36-20-5-3-2-4-6-20;36-30(16-22-4-2-1-3-5-22)33(13-14-33)31(37)17-23-6-7-25(20-35-23)40-29-10-15-34-28-18-24(8-9-27(28)29)39-26-19-32(11-12-32)38-21-26/h2-4,6-10,15,18,21-22,36,44H,5,11-14,16-17,19-20,23-24H2,1H3;1-9,11,17-18,21,26H,10,12-16,19-20,22H2;1-3,5-11,17,19,22,39H,4,12-16,18,20-21H2;2-4,6-12,18,22-23H,5,13-17,19-21H2,1H3;1-9,11,17,20-21,27H,10,12-16,18-19,22H2;2-9,14-17,22H,10-13,18-19H2,1H3,(H,36,38)(H,37,39);1-10,15,18,20,26H,11-14,16-17,19,21H2/t;26-;;;27-;;/m.1..1../s1.
What are the key properties of 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate?
1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate has a molecular weight of 4039.59 g/mol, XLogP of 43.69, 83 rotatable bonds, 4 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[3-fluoro-4-[7-[3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-N'-[3-fluoro-4-[6-methoxy-7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-[1-[2-[3-fluoro-4-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-[[(5R)-4-oxaspiro[2.4]heptan-5-yl]methoxy]quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;1-[1-[2-[5-[7-(4-oxaspiro[2.4]heptan-6-yloxy)quinolin-4-yl]oxy-2-pyridinyl]acetyl]cyclopropyl]-2-phenylethanone;[1-[3-[4-[[6-[2-oxo-2-[1-(2-phenylacetyl)cyclopropyl]ethyl]-3-pyridinyl]oxy]quinolin-7-yl]oxypropyl]cyclopropyl] methanesulfonate is sourced from PubChem (CID 158517322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).