1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

C₁₇₇H₂₁₄Cl₂N₁₄O₂₂S₂ — CID 160902660

About 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 160902660) has the molecular formula C₁₇₇H₂₁₄Cl₂N₁₄O₂₂S₂ and a molecular weight of 3024.77 g/mol. Its IUPAC name is 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
• PubChem CID: 160902660
• Molecular Formula: C₁₇₇H₂₁₄Cl₂N₁₄O₂₂S₂
• Molecular Weight: 3024.77 g/mol
• Exact Mass: 3021.49
• IUPAC Name: 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
• SMILES: CC(CC(=O)N1C(C)CCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1C(C)CCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C(C)CCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCC(=O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC1CCC2C(C(=O)O)CCCC2N1C(=O)C[C@@H](C)c1c[nH]c2cccc(-c3cccs3)c12.CC1CCC2C(C(=O)O)CCCC2N1C(=O)C[C@H](C)c1c[nH]c2cccc(-c3cccs3)c12
• InChI: InChI=1S/C27H32N2O4.2C27H32N2O3S.C26H30N2O4.C26H34N2O3.C23H29ClN2O3.C21H25ClN2O2/c3*1-16(21-15-28-22-8-3-7-20(26(21)22)24-10-5-13-33-24)14-25(30)29-17(2)11-12-18-19(27(31)32)6-4-9-23(18)29;1-16(20-15-27-21-7-2-6-19(25(20)21)23-8-4-12-32-23)13-24(29)28-11-3-5-17-14-18(26(30)31)9-10-22(17)28;1-15(21-14-27-22-7-3-5-18(25(21)22)17-10-11-17)13-24(29)28-16(2)9-12-19-20(26(30)31)6-4-8-23(19)28;1-13(17-12-25-19-7-4-6-18(24)22(17)19)11-21(27)26-14(2)9-10-15-16(23(28)29)5-3-8-20(15)26;1-13(15-12-23-17-7-4-6-16(22)21(15)17)11-20(26)24-10-9-19(25)14-5-2-3-8-18(14)24/h3*3,5,7-8,10,13,15-19,23,28H,4,6,9,11-12,14H2,1-2H3,(H,31,32);2,4,6-8,12,15-18,22,27H,3,5,9-11,13-14H2,1H3,(H,30,31);3,5,7,14-17,19-20,23,27H,4,6,8-13H2,1-2H3,(H,30,31);4,6-7,12-16,20,25H,3,5,8-11H2,1-2H3,(H,28,29);4,6-7,12-14,18,23H,2-3,5,8-11H2,1H3/t;2*16-,17?,18?,19?,23?;;;;/m.10..../s1
• InChIKey: SPSGFABYCIECOP-JIKWZUHPSA-N
• XLogP: 39.05
• TPSA: 519.85 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3024.77
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-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-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 160902660) is 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-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-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-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-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(CC(=O)N1C(C)CCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1C(C)CCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C(C)CCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCC(=O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(-c3ccco3)c12.CC1CCC2C(C(=O)O)CCCC2N1C(=O)C[C@@H](C)c1c[nH]c2cccc(-c3cccs3)c12.CC1CCC2C(C(=O)O)CCCC2N1C(=O)C[C@H](C)c1c[nH]c2cccc(-c3cccs3)c12.

What is the InChIKey of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

The InChIKey is SPSGFABYCIECOP-JIKWZUHPSA-N. The full InChI is InChI=1S/C27H32N2O4.2C27H32N2O3S.C26H30N2O4.C26H34N2O3.C23H29ClN2O3.C21H25ClN2O2/c3*1-16(21-15-28-22-8-3-7-20(26(21)22)24-10-5-13-33-24)14-25(30)29-17(2)11-12-18-19(27(31)32)6-4-9-23(18)29;1-16(20-15-27-21-7-2-6-19(25(20)21)23-8-4-12-32-23)13-24(29)28-11-3-5-17-14-18(26(30)31)9-10-22(17)28;1-15(21-14-27-22-7-3-5-18(25(21)22)17-10-11-17)13-24(29)28-16(2)9-12-19-20(26(30)31)6-4-8-23(19)28;1-13(17-12-25-19-7-4-6-18(24)22(17)19)11-21(27)26-14(2)9-10-15-16(23(28)29)5-3-8-20(15)26;1-13(15-12-23-17-7-4-6-16(22)21(15)17)11-20(26)24-10-9-19(25)14-5-2-3-8-18(14)24/h3*3,5,7-8,10,13,15-19,23,28H,4,6,9,11-12,14H2,1-2H3,(H,31,32);2,4,6-8,12,15-18,22,27H,3,5,9-11,13-14H2,1H3,(H,30,31);3,5,7,14-17,19-20,23,27H,4,6,8-13H2,1-2H3,(H,30,31);4,6-7,12-16,20,25H,3,5,8-11H2,1-2H3,(H,28,29);4,6-7,12-14,18,23H,2-3,5,8-11H2,1H3/t;2*16-,17?,18?,19?,23?;;;;/m.10..../s1.

What are the key properties of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 3024.77 g/mol, XLogP of 39.05, 32 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-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-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 160902660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160902660 — identifiers, structure, computed properties (public domain)

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