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

C81H93F2N7O10 — CID 157432070

IUPAC1-[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
SMILESCC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccn3C)c12
InChIInChI=1S/C28H31FN2O3.C27H33N3O3.C26H29FN2O4/c1-17(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(15-25(31)30-14-5-9-18-19(27(32)33)7-4-11-24(18)30)21-16-28-22-10-3-8-20(26(21)22)23-12-6-13-29(23)2;1-15(13-24(30)29-12-4-7-16-17(26(31)32)5-3-9-21(16)29)19-14-28-20-8-2-6-18(25(19)20)22-10-11-23(27)33-22/h2,5,8,10-13,16-17,21-22,25,30H,3-4,6-7,9,14-15H2,1H3,(H,33,34);3,6,8,10,12-13,16-19,24,28H,4-5,7,9,11,14-15H2,1-2H3,(H,32,33);2,6,8,10-11,14-17,21,28H,3-5,7,9,12-13H2,1H3,(H,31,32)
InChIKeyBQQUFPKYHFZNKI-UHFFFAOYSA-N
MW1362.67 g/mol
LogP16.67
Rot. Bonds15

About 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

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 (PubChem CID 157432070) has the molecular formula C81H93F2N7O10 and a molecular weight of 1362.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157432070
Molecular FormulaC81H93F2N7O10
Molecular Weight1362.67 g/mol
Exact Mass1361.70
IUPAC Name1-[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
SMILESCC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccn3C)c12
InChIInChI=1S/C28H31FN2O3.C27H33N3O3.C26H29FN2O4/c1-17(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(15-25(31)30-14-5-9-18-19(27(32)33)7-4-11-24(18)30)21-16-28-22-10-3-8-20(26(21)22)23-12-6-13-29(23)2;1-15(13-24(30)29-12-4-7-16-17(26(31)32)5-3-9-21(16)29)19-14-28-20-8-2-6-18(25(19)20)22-10-11-23(27)33-22/h2,5,8,10-13,16-17,21-22,25,30H,3-4,6-7,9,14-15H2,1H3,(H,33,34);3,6,8,10,12-13,16-19,24,28H,4-5,7,9,11,14-15H2,1-2H3,(H,32,33);2,6,8,10-11,14-17,21,28H,3-5,7,9,12-13H2,1H3,(H,31,32)
InChIKeyBQQUFPKYHFZNKI-UHFFFAOYSA-N
XLogP16.67
TPSA238.27 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.67
LogP ≤ 516.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid
CID 71730993
(2R)-2-amino-3-(1H-indol-3-yl)propan-1-ol;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide;2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 87787787
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
CID 89714725
3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-[5-(2-oxopropyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one
CID 89720272
2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid
CID 89720568
1-[3-[4-(5-fluorofuran-2-yl)-1-methylindol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 89782783
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
CID 89782796
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
CID 89794841
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
CID 89794845
1-[4,4,4-trifluoro-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
CID 89794846
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
CID 89794941
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
CID 89794943

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)cc3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccn3C)c12.
What is the InChIKey of 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?
The InChIKey is BQQUFPKYHFZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3.C27H33N3O3.C26H29FN2O4/c1-17(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(15-25(31)30-14-5-9-18-19(27(32)33)7-4-11-24(18)30)21-16-28-22-10-3-8-20(26(21)22)23-12-6-13-29(23)2;1-15(13-24(30)29-12-4-7-16-17(26(31)32)5-3-9-21(16)29)19-14-28-20-8-2-6-18(25(19)20)22-10-11-23(27)33-22/h2,5,8,10-13,16-17,21-22,25,30H,3-4,6-7,9,14-15H2,1H3,(H,33,34);3,6,8,10,12-13,16-19,24,28H,4-5,7,9,11,14-15H2,1-2H3,(H,32,33);2,6,8,10-11,14-17,21,28H,3-5,7,9,12-13H2,1H3,(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 1362.67 g/mol, XLogP of 16.67, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157432070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).