1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid

C154H173ClF4N12O21 — CID 158441825

IUPAC1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
SMILESCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(Cl)c12.C[C@@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.C[C@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.O=C(O)C1CCN(C(=O)C[C@@H](c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)C[C@H](c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12
InChIInChI=1S/2C27H28F2N2O3.3C26H30N2O4.C22H27ClN2O3/c2*28-17-10-8-16(9-11-17)20(21-15-30-23-6-3-5-22(29)26(21)23)14-25(32)31-13-12-19(27(33)34)18-4-1-2-7-24(18)31;2*1-16(20-15-27-21-9-2-7-19(25(20)21)23-11-5-13-32-23)14-24(29)28-12-4-8-17-18(26(30)31)6-3-10-22(17)28;1-16(20-15-27-21-8-4-7-19(25(20)21)23-10-5-13-32-23)14-24(29)28-12-11-18(26(30)31)17-6-2-3-9-22(17)28;1-13(16-12-24-18-6-2-5-17(23)21(16)18)10-20(26)25-9-3-4-14-11-15(22(27)28)7-8-19(14)25/h2*3,5-6,8-11,15,18-20,24,30H,1-2,4,7,12-14H2,(H,33,34);2*2,5,7,9,11,13,15-18,22,27H,3-4,6,8,10,12,14H2,1H3,(H,30,31);4-5,7-8,10,13,15-18,22,27H,2-3,6,9,11-12,14H2,1H3,(H,30,31);2,5-6,12-15,19,24H,3-4,7-11H2,1H3,(H,27,28)/t2*18?,19?,20-,24?;2*16-,17?,18?,22?;;/m1010../s1
InChIKeyHCXJOYYFGDKQMB-SJZHRDCASA-N
MW2639.59 g/mol
LogP31.97
Rot. Bonds29

About 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid

1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (PubChem CID 158441825) has the molecular formula C154H173ClF4N12O21 and a molecular weight of 2639.59 g/mol. Its IUPAC name is 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
PubChem CID158441825
Molecular FormulaC154H173ClF4N12O21
Molecular Weight2639.59 g/mol
Exact Mass2637.25
IUPAC Name1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
SMILESCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(Cl)c12.C[C@@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.C[C@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.O=C(O)C1CCN(C(=O)C[C@@H](c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)C[C@H](c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12
InChIInChI=1S/2C27H28F2N2O3.3C26H30N2O4.C22H27ClN2O3/c2*28-17-10-8-16(9-11-17)20(21-15-30-23-6-3-5-22(29)26(21)23)14-25(32)31-13-12-19(27(33)34)18-4-1-2-7-24(18)31;2*1-16(20-15-27-21-9-2-7-19(25(20)21)23-11-5-13-32-23)14-24(29)28-12-4-8-17-18(26(30)31)6-3-10-22(17)28;1-16(20-15-27-21-8-4-7-19(25(20)21)23-10-5-13-32-23)14-24(29)28-12-11-18(26(30)31)17-6-2-3-9-22(17)28;1-13(16-12-24-18-6-2-5-17(23)21(16)18)10-20(26)25-9-3-4-14-11-15(22(27)28)7-8-19(14)25/h2*3,5-6,8-11,15,18-20,24,30H,1-2,4,7,12-14H2,(H,33,34);2*2,5,7,9,11,13,15-18,22,27H,3-4,6,8,10,12,14H2,1H3,(H,30,31);4-5,7-8,10,13,15-18,22,27H,2-3,6,9,11-12,14H2,1H3,(H,30,31);2,5-6,12-15,19,24H,3-4,7-11H2,1H3,(H,27,28)/t2*18?,19?,20-,24?;2*16-,17?,18?,22?;;/m1010../s1
InChIKeyHCXJOYYFGDKQMB-SJZHRDCASA-N
XLogP31.97
TPSA479.82 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.59
LogP ≤ 531.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Analyze 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid with MolForge

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Related Compounds

1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyloxy-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-methoxy-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1-methylcyclopropyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-propan-2-yloxy-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(trifluoromethyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157113262
1-[3-(4-tert-butyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-chloro-1-ethylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-ethyl-4-fluoroindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-methyl-4-(trifluoromethyl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157414589
heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158108496
bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
CID 159453720
1-[3-(4-chloro-1-ethylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;bis(1-[3-(4-cyclopropyl-1H-indol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid);1-[3-(1-ethyl-4-fluoroindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-methyl-4-(trifluoromethyl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 159865035
1-[3-(4-tert-butyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyloxy-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-methoxy-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1-methylcyclopropyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-propan-2-yloxy-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(trifluoromethyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 160675404
pentakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 160741935
4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 157147246
1-[(3S)-3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-5-fluoro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1-methylindol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157307028
1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1-methylpyrrol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157432070
4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indole-2-carbonitrile;4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1H-indole-2-carbonitrile;3-(4-chloro-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indole-2-carbonitrile;2-[3-(4,5-dimethyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid
CID 157713762
5-[3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]furan-2-carboxylic acid;4-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]-4-oxobutanoic acid;1-[(3S)-3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1-methylpyrrol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 157754691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (CID 158441825) is 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is CC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(Cl)c12.C[C@@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.C[C@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.O=C(O)C1CCN(C(=O)C[C@@H](c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)C[C@H](c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.
What is the InChIKey of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The InChIKey is HCXJOYYFGDKQMB-SJZHRDCASA-N. The full InChI is InChI=1S/2C27H28F2N2O3.3C26H30N2O4.C22H27ClN2O3/c2*28-17-10-8-16(9-11-17)20(21-15-30-23-6-3-5-22(29)26(21)23)14-25(32)31-13-12-19(27(33)34)18-4-1-2-7-24(18)31;2*1-16(20-15-27-21-9-2-7-19(25(20)21)23-11-5-13-32-23)14-24(29)28-12-4-8-17-18(26(30)31)6-3-10-22(17)28;1-16(20-15-27-21-8-4-7-19(25(20)21)23-10-5-13-32-23)14-24(29)28-12-11-18(26(30)31)17-6-2-3-9-22(17)28;1-13(16-12-24-18-6-2-5-17(23)21(16)18)10-20(26)25-9-3-4-14-11-15(22(27)28)7-8-19(14)25/h2*3,5-6,8-11,15,18-20,24,30H,1-2,4,7,12-14H2,(H,33,34);2*2,5,7,9,11,13,15-18,22,27H,3-4,6,8,10,12,14H2,1H3,(H,30,31);4-5,7-8,10,13,15-18,22,27H,2-3,6,9,11-12,14H2,1H3,(H,30,31);2,5-6,12-15,19,24H,3-4,7-11H2,1H3,(H,27,28)/t2*18?,19?,20-,24?;2*16-,17?,18?,22?;;/m1010../s1.
What are the key properties of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid has a molecular weight of 2639.59 g/mol, XLogP of 31.97, 29 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[(3R)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[(3S)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 158441825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).