6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid

C17H12BrNO2 — CID 757946

IUPAC6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H12BrNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
InChIKeyDLRRYGJBGBBQBK-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.67
Rot. Bonds2

About 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid

6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid (PubChem CID 757946) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid
PubChem CID757946
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H12BrNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
InChIKeyDLRRYGJBGBBQBK-UHFFFAOYSA-N
XLogP4.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-methyl-4-phenylquinoline-3-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 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid (CID 757946) is 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid is Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid?
The InChIKey is DLRRYGJBGBBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21).
What are the key properties of 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid?
6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-4-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 757946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).