2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid

C18H14BrNO2 — CID 90655876

IUPAC2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H14BrNO2/c1-11-14(10-17(21)22)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyNKMBIRAZOSIZQM-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.60
Rot. Bonds3

About 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid

2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid (PubChem CID 90655876) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid
PubChem CID90655876
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(=O)O
InChIInChI=1S/C18H14BrNO2/c1-11-14(10-17(21)22)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyNKMBIRAZOSIZQM-UHFFFAOYSA-N
XLogP4.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic 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-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid (CID 90655876) is 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid is Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid?
The InChIKey is NKMBIRAZOSIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c1-11-14(10-17(21)22)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-11/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid?
2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid has a molecular weight of 356.22 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)acetic acid is sourced from PubChem (CID 90655876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).