3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid

C24H22N2O2 — CID 71501908

IUPAC3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
SMILESCn1c(-c2cccc3cccnc23)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C24H22N2O2/c1-26-20-14-17(24(27)28)11-12-18(20)21(15-6-2-3-7-15)23(26)19-10-4-8-16-9-5-13-25-22(16)19/h4-5,8-15H,2-3,6-7H2,1H3,(H,27,28)
InChIKeyKCBHFFCVQNCVDM-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.75
Rot. Bonds3

About 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid

3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid (PubChem CID 71501908) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
PubChem CID71501908
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
SMILESCn1c(-c2cccc3cccnc23)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C24H22N2O2/c1-26-20-14-17(24(27)28)11-12-18(20)21(15-6-2-3-7-15)23(26)19-10-4-8-16-9-5-13-25-22(16)19/h4-5,8-15H,2-3,6-7H2,1H3,(H,27,28)
InChIKeyKCBHFFCVQNCVDM-UHFFFAOYSA-N
XLogP5.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-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

3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
CID 71501727
3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid
CID 143615872
3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide
CID 58745699
1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
CID 142999777
3-cyclopentyl-2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]-1-methylindole-6-carboxylic acid
CID 10295178
methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
CID 59127758
3-cyclohexyl-1-ethyl-2-(2-methanidylphenyl)indole-6-carboxylic acid;ethane;yttrium
CID 161282807
1-[2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;ethane
CID 143166821
3-cyclohexyl-1-ethyl-2-(2-methanidylphenyl)indole-6-carboxylic acid;yttrium
CID 59142823
3-cyclohexyl-13-(2-piperidin-1-ylethyl)-10,13,19-triazapentacyclo[12.8.0.02,10.04,9.015,20]docosa-1(14),2,4(9),5,7,15(20),16,18,21-nonaene-7-carboxylic acid
CID 25266358
3-cyclohexyl-18-(3-methyl-2-pyridinyl)-13-oxa-10,19-diazapentacyclo[12.8.0.02,10.04,9.015,20]docosa-1(14),2,4(9),5,7,15(20),16,18,21-nonaene-7-carboxylic acid
CID 59664957
3-cyclohexyl-10,14-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4(9),5,7,15,17,19-octaene-7-carboxylic acid
CID 59664843

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid (CID 71501908) is 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid is Cn1c(-c2cccc3cccnc23)c(C2CCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid?
The InChIKey is KCBHFFCVQNCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-26-20-14-17(24(27)28)11-12-18(20)21(15-6-2-3-7-15)23(26)19-10-4-8-16-9-5-13-25-22(16)19/h4-5,8-15H,2-3,6-7H2,1H3,(H,27,28).
What are the key properties of 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid?
3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid is sourced from PubChem (CID 71501908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).