8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid

C14H12BrNO2 — CID 82184119

IUPAC8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
SMILESCc1cc(Br)c2nc(C3CC3)cc(C(=O)O)c2c1
InChIInChI=1S/C14H12BrNO2/c1-7-4-9-10(14(17)18)6-12(8-2-3-8)16-13(9)11(15)5-7/h4-6,8H,2-3H2,1H3,(H,17,18)
InChIKeyPZCQWAVHIUBLHU-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.88
Rot. Bonds2

About 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid

8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid (PubChem CID 82184119) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
PubChem CID82184119
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
SMILESCc1cc(Br)c2nc(C3CC3)cc(C(=O)O)c2c1
InChIInChI=1S/C14H12BrNO2/c1-7-4-9-10(14(17)18)6-12(8-2-3-8)16-13(9)11(15)5-7/h4-6,8H,2-3H2,1H3,(H,17,18)
InChIKeyPZCQWAVHIUBLHU-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-2-cyclopropyl-6-methylquinoline-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

6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine
CID 63357923
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117
4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534817
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
CID 170753013
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid (CID 82184119) is 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid is Cc1cc(Br)c2nc(C3CC3)cc(C(=O)O)c2c1.
What is the InChIKey of 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid?
The InChIKey is PZCQWAVHIUBLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-7-4-9-10(14(17)18)6-12(8-2-3-8)16-13(9)11(15)5-7/h4-6,8H,2-3H2,1H3,(H,17,18).
What are the key properties of 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid?
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid has a molecular weight of 306.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).