7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid

C30H27NO2 — CID 68937222

IUPAC7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid
SMILESCc1ccccc1-c1cccc2c(CCCCc3cccc4ccccc34)c(C(=O)O)[nH]c12
InChIInChI=1S/C30H27NO2/c1-20-10-2-5-15-23(20)25-18-9-19-26-27(29(30(32)33)31-28(25)26)17-7-4-12-22-14-8-13-21-11-3-6-16-24(21)22/h2-3,5-6,8-11,13-16,18-19,31H,4,7,12,17H2,1H3,(H,32,33)
InChIKeyWWQQFRHNJIQIJV-UHFFFAOYSA-N
MW433.55 g/mol
LogP7.56
Rot. Bonds7

About 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid

7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid (PubChem CID 68937222) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid
PubChem CID68937222
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Name7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid
SMILESCc1ccccc1-c1cccc2c(CCCCc3cccc4ccccc34)c(C(=O)O)[nH]c12
InChIInChI=1S/C30H27NO2/c1-20-10-2-5-15-23(20)25-18-9-19-26-27(29(30(32)33)31-28(25)26)17-7-4-12-22-14-8-13-21-11-3-6-16-24(21)22/h2-3,5-6,8-11,13-16,18-19,31H,4,7,12,17H2,1H3,(H,32,33)
InChIKeyWWQQFRHNJIQIJV-UHFFFAOYSA-N
XLogP7.56
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-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-[3-(3-hydroxy-2-methylphenoxy)propyl]-7-(2-methylphenyl)-1H-indole-2-carboxylic acid
CID 68936192
3-[3-(7-chloropyrrolo[2,3-c]pyridin-1-yl)propyl]-7-(2-methylphenyl)-1H-indole-2-carboxylic acid
CID 87629412
7-(2-methoxy-5-methylphenyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 68936409
7-(3-chloro-2-fluorophenyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 25143630
5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 73010358
7-[5-methyl-2-(2-phenylethoxy)-4-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 68937466
3-[3-[(2-acetyl-1-benzofuran-7-yl)oxy]propyl]-7-(4-carboxy-2-methylphenyl)-1H-indole-2-carboxylic acid
CID 68934378
3-(3-naphthalen-1-yloxypropyl)-7-(2-propylanilino)-1H-indole-2-carboxylic acid
CID 68941775
7-(5-carboxy-2-chlorophenyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 25144329
3-(3-naphthalen-1-yloxypropyl)-7-[2-[4-(3-phenylpropyl)phenyl]ethyl]-1H-indole-2-carboxylic acid
CID 68933208
7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 25144754
7-[5-methyl-2-(4-phenylbutoxy)-4-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 68941084

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid (CID 68937222) is 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid is Cc1ccccc1-c1cccc2c(CCCCc3cccc4ccccc34)c(C(=O)O)[nH]c12.
What is the InChIKey of 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid?
The InChIKey is WWQQFRHNJIQIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2/c1-20-10-2-5-15-23(20)25-18-9-19-26-27(29(30(32)33)31-28(25)26)17-7-4-12-22-14-8-13-21-11-3-6-16-24(21)22/h2-3,5-6,8-11,13-16,18-19,31H,4,7,12,17H2,1H3,(H,32,33).
What are the key properties of 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid?
7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid has a molecular weight of 433.55 g/mol, XLogP of 7.56, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 68937222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).