1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

C165H188F4N14O18 — CID 161083899

IUPAC1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c(C#N)[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c(C#N)n(C)c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccc(F)c3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccccc3F)c12.C[C@@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.C[C@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/4C28H31FN2O3.C27H33N3O3.C26H31N3O3/c1-17(14-26(32)31-13-5-10-21-22(28(33)34)9-4-12-25(21)31)23-16-30-24-11-3-8-20(27(23)24)18-6-2-7-19(29)15-18;2*1-17(15-26(32)31-14-4-7-21-22(28(33)34)6-3-9-25(21)31)23-16-30-24-8-2-5-20(27(23)24)18-10-12-19(29)13-11-18;1-17(15-26(32)31-14-6-10-19-21(28(33)34)9-5-13-25(19)31)22-16-30-24-12-4-8-20(27(22)24)18-7-2-3-11-23(18)29;1-16(14-24(31)30-13-5-8-19-20(27(32)33)7-4-9-21(19)30)25-23(15-28)29(2)22-10-3-6-18(26(22)25)17-11-12-17;1-15(24-21(14-27)28-20-8-2-5-17(25(20)24)16-10-11-16)13-23(30)29-12-4-7-18-19(26(31)32)6-3-9-22(18)29/h2-3,6-8,11,15-17,21-22,25,30H,4-5,9-10,12-14H2,1H3,(H,33,34);2*2,5,8,10-13,16-17,21-22,25,30H,3-4,6-7,9,14-15H2,1H3,(H,33,34);2-4,7-8,11-12,16-17,19,21,25,30H,5-6,9-10,13-15H2,1H3,(H,33,34);3,6,10,16-17,19-21H,4-5,7-9,11-14H2,1-2H3,(H,32,33);2,5,8,15-16,18-19,22,28H,3-4,6-7,9-13H2,1H3,(H,31,32)/t;2*17-,21?,22?,25?;;;/m.10.../s1
InChIKeyUGGIRLNINXBFJM-RIHXTKOSSA-N
MW2731.39 g/mol
LogP33.65
Rot. Bonds30

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

1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 161083899) has the molecular formula C165H188F4N14O18 and a molecular weight of 2731.39 g/mol. Its IUPAC name is 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
PubChem CID161083899
Molecular FormulaC165H188F4N14O18
Molecular Weight2731.39 g/mol
Exact Mass2729.42
IUPAC Name1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c(C#N)[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c(C#N)n(C)c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccc(F)c3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccccc3F)c12.C[C@@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.C[C@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/4C28H31FN2O3.C27H33N3O3.C26H31N3O3/c1-17(14-26(32)31-13-5-10-21-22(28(33)34)9-4-12-25(21)31)23-16-30-24-11-3-8-20(27(23)24)18-6-2-7-19(29)15-18;2*1-17(15-26(32)31-14-4-7-21-22(28(33)34)6-3-9-25(21)31)23-16-30-24-8-2-5-20(27(23)24)18-10-12-19(29)13-11-18;1-17(15-26(32)31-14-6-10-19-21(28(33)34)9-5-13-25(19)31)22-16-30-24-12-4-8-20(27(22)24)18-7-2-3-11-23(18)29;1-16(14-24(31)30-13-5-8-19-20(27(32)33)7-4-9-21(19)30)25-23(15-28)29(2)22-10-3-6-18(26(22)25)17-11-12-17;1-15(24-21(14-27)28-20-8-2-5-17(25(20)24)16-10-11-16)13-23(30)29-12-4-7-18-19(26(31)32)6-3-9-22(18)29/h2-3,6-8,11,15-17,21-22,25,30H,4-5,9-10,12-14H2,1H3,(H,33,34);2*2,5,8,10-13,16-17,21-22,25,30H,3-4,6-7,9,14-15H2,1H3,(H,33,34);2-4,7-8,11-12,16-17,19,21,25,30H,5-6,9-10,13-15H2,1H3,(H,33,34);3,6,10,16-17,19-21H,4-5,7-9,11-14H2,1-2H3,(H,32,33);2,5,8,15-16,18-19,22,28H,3-4,6-7,9-13H2,1H3,(H,31,32)/t;2*17-,21?,22?,25?;;;/m.10.../s1
InChIKeyUGGIRLNINXBFJM-RIHXTKOSSA-N
XLogP33.65
TPSA477.12 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002731.39
LogP ≤ 533.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 161083899) is 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c(C#N)[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c(C#N)n(C)c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccc(F)c3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccccc3F)c12.C[C@@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.C[C@H](CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The InChIKey is UGGIRLNINXBFJM-RIHXTKOSSA-N. The full InChI is InChI=1S/4C28H31FN2O3.C27H33N3O3.C26H31N3O3/c1-17(14-26(32)31-13-5-10-21-22(28(33)34)9-4-12-25(21)31)23-16-30-24-11-3-8-20(27(23)24)18-6-2-7-19(29)15-18;2*1-17(15-26(32)31-14-4-7-21-22(28(33)34)6-3-9-25(21)31)23-16-30-24-8-2-5-20(27(23)24)18-10-12-19(29)13-11-18;1-17(15-26(32)31-14-6-10-19-21(28(33)34)9-5-13-25(19)31)22-16-30-24-12-4-8-20(27(22)24)18-7-2-3-11-23(18)29;1-16(14-24(31)30-13-5-8-19-20(27(32)33)7-4-9-21(19)30)25-23(15-28)29(2)22-10-3-6-18(26(22)25)17-11-12-17;1-15(24-21(14-27)28-20-8-2-5-17(25(20)24)16-10-11-16)13-23(30)29-12-4-7-18-19(26(31)32)6-3-9-22(18)29/h2-3,6-8,11,15-17,21-22,25,30H,4-5,9-10,12-14H2,1H3,(H,33,34);2*2,5,8,10-13,16-17,21-22,25,30H,3-4,6-7,9,14-15H2,1H3,(H,33,34);2-4,7-8,11-12,16-17,19,21,25,30H,5-6,9-10,13-15H2,1H3,(H,33,34);3,6,10,16-17,19-21H,4-5,7-9,11-14H2,1-2H3,(H,32,33);2,5,8,15-16,18-19,22,28H,3-4,6-7,9-13H2,1H3,(H,31,32)/t;2*17-,21?,22?,25?;;;/m.10.../s1.
What are the key properties of 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 2731.39 g/mol, XLogP of 33.65, 30 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyano-4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(2-cyano-4-cyclopropyl-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3S)-3-[4-(4-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[(3R)-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-(2-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(3-fluorophenyl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 161083899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).