2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid

C17H15NO2 — CID 23215028

IUPAC2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid
SMILESCC1(c2ccccc2)C=C(C(=O)O)c2ccccc2N1
InChIInChI=1S/C17H15NO2/c1-17(12-7-3-2-4-8-12)11-14(16(19)20)13-9-5-6-10-15(13)18-17/h2-11,18H,1H3,(H,19,20)
InChIKeyZZZHXJCUHIUOHT-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.50
Rot. Bonds2

About 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid

2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid (PubChem CID 23215028) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid
PubChem CID23215028
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid
SMILESCC1(c2ccccc2)C=C(C(=O)O)c2ccccc2N1
InChIInChI=1S/C17H15NO2/c1-17(12-7-3-2-4-8-12)11-14(16(19)20)13-9-5-6-10-15(13)18-17/h2-11,18H,1H3,(H,19,20)
InChIKeyZZZHXJCUHIUOHT-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-phenyl-1H-quinoline-4-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid?
The IUPAC name of 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid (CID 23215028) is 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid is CC1(c2ccccc2)C=C(C(=O)O)c2ccccc2N1.
What is the InChIKey of 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid?
The InChIKey is ZZZHXJCUHIUOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(12-7-3-2-4-8-12)11-14(16(19)20)13-9-5-6-10-15(13)18-17/h2-11,18H,1H3,(H,19,20).
What are the key properties of 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid?
2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 23215028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).