2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid

C26H29NO2 — CID 57331759

IUPAC2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2cc3c(cc2c1-c1ccc(C)cc1)CCCC3
InChIInChI=1S/C26H29NO2/c1-4-7-21(26(28)29)24-17(3)27-23-15-20-9-6-5-8-19(20)14-22(23)25(24)18-12-10-16(2)11-13-18/h10-15,21H,4-9H2,1-3H3,(H,28,29)
InChIKeyFJUVEZKPSMECEY-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.37
Rot. Bonds5

About 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid

2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid (PubChem CID 57331759) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid
PubChem CID57331759
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2cc3c(cc2c1-c1ccc(C)cc1)CCCC3
InChIInChI=1S/C26H29NO2/c1-4-7-21(26(28)29)24-17(3)27-23-15-20-9-6-5-8-19(20)14-22(23)25(24)18-12-10-16(2)11-13-18/h10-15,21H,4-9H2,1-3H3,(H,28,29)
InChIKeyFJUVEZKPSMECEY-UHFFFAOYSA-N
XLogP6.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid (CID 57331759) is 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid is CCCC(C(=O)O)c1c(C)nc2cc3c(cc2c1-c1ccc(C)cc1)CCCC3.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid?
The InChIKey is FJUVEZKPSMECEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-4-7-21(26(28)29)24-17(3)27-23-15-20-9-6-5-8-19(20)14-22(23)25(24)18-12-10-16(2)11-13-18/h10-15,21H,4-9H2,1-3H3,(H,28,29).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid?
2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid has a molecular weight of 387.52 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid is sourced from PubChem (CID 57331759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).