8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

C18H14BrNO2 — CID 1227056

IUPAC8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(C)cc(Br)c3n2)cc1
InChIInChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)16-9-14(18(21)22)13-7-11(2)8-15(19)17(13)20-16/h3-9H,1-2H3,(H,21,22)
InChIKeyIOYOFCMPIQEOQY-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.98
Rot. Bonds2

About 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 1227056) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID1227056
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(C)cc(Br)c3n2)cc1
InChIInChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)16-9-14(18(21)22)13-7-11(2)8-15(19)17(13)20-16/h3-9H,1-2H3,(H,21,22)
InChIKeyIOYOFCMPIQEOQY-UHFFFAOYSA-N
XLogP4.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-6-methyl-2-(4-methylphenyl)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

Related Compounds

8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
CID 4712144
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-[4-(5-formylfuran-2-yl)phenyl]-6,8-dimethylquinoline-4-carboxylic acid
CID 169333799
ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261151

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 1227056) is 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cc(C)cc(Br)c3n2)cc1.
What is the InChIKey of 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is IOYOFCMPIQEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)16-9-14(18(21)22)13-7-11(2)8-15(19)17(13)20-16/h3-9H,1-2H3,(H,21,22).
What are the key properties of 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 1227056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).