3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid

C28H30N2O2 — CID 143615872

IUPAC3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid
SMILESCCCn1c(-c2ccc3ncccc3c2C)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C28H30N2O2/c1-3-16-30-25-17-20(28(31)32)11-12-23(25)26(19-8-5-4-6-9-19)27(30)22-13-14-24-21(18(22)2)10-7-15-29-24/h7,10-15,17,19H,3-6,8-9,16H2,1-2H3,(H,31,32)
InChIKeyYSKMZKCVEGQJIK-UHFFFAOYSA-N
MW426.56 g/mol
LogP7.32
Rot. Bonds5

About 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid

3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid (PubChem CID 143615872) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid
PubChem CID143615872
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid
SMILESCCCn1c(-c2ccc3ncccc3c2C)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C28H30N2O2/c1-3-16-30-25-17-20(28(31)32)11-12-23(25)26(19-8-5-4-6-9-19)27(30)22-13-14-24-21(18(22)2)10-7-15-29-24/h7,10-15,17,19H,3-6,8-9,16H2,1-2H3,(H,31,32)
InChIKeyYSKMZKCVEGQJIK-UHFFFAOYSA-N
XLogP7.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25266358
3-cyclohexyl-1-ethyl-2-(2-methanidylphenyl)indole-6-carboxylic acid;ethane;yttrium
CID 161282807
3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
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3-cyclohexyl-1-ethyl-2-(2-methanidylphenyl)indole-6-carboxylic acid;yttrium
CID 59142823
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-pyridin-3-ylindole-6-carboxylic acid
CID 6480928
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
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17-cyclohexyl-3,6,10-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaene-13-carboxylic acid
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3-cyclohexyl-2-(furan-3-yl)-1-(2-hydroxyethyl)indole-6-carboxylic acid
CID 46232833
3-cyclohexyl-13-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-18-(4-methyl-2-pyridinyl)-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 25267771
6-cyclohexyl-5-[5-methyl-2-[N-[(Z)-prop-1-enyl]-C-prop-1-en-2-ylcarbonimidoyl]quinolin-6-yl]-4-propylthieno[3,2-b]pyrrole-2-carboxylic acid
CID 143615732

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid (CID 143615872) is 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid is CCCn1c(-c2ccc3ncccc3c2C)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid?
The InChIKey is YSKMZKCVEGQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-3-16-30-25-17-20(28(31)32)11-12-23(25)26(19-8-5-4-6-9-19)27(30)22-13-14-24-21(18(22)2)10-7-15-29-24/h7,10-15,17,19H,3-6,8-9,16H2,1-2H3,(H,31,32).
What are the key properties of 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid?
3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid has a molecular weight of 426.56 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(5-methylquinolin-6-yl)-1-propylindole-6-carboxylic acid is sourced from PubChem (CID 143615872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).