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

C14H12BrNO2 — CID 60984276

IUPAC6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)cc(C3CC3)nc12
InChIInChI=1S/C14H12BrNO2/c1-7-4-9(15)5-10-11(14(17)18)6-12(8-2-3-8)16-13(7)10/h4-6,8H,2-3H2,1H3,(H,17,18)
InChIKeyCJPWXHFREYFRJW-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.88
Rot. Bonds2

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

6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid (PubChem CID 60984276) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
PubChem CID60984276
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)cc(C3CC3)nc12
InChIInChI=1S/C14H12BrNO2/c1-7-4-9(15)5-10-11(14(17)18)6-12(8-2-3-8)16-13(7)10/h4-6,8H,2-3H2,1H3,(H,17,18)
InChIKeyCJPWXHFREYFRJW-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

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Related Compounds

2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
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
7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 65046431
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
4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534817
5-bromo-3-methyl-2-(oxan-4-yloxy)benzoic acid
CID 112620907
[(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
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid (CID 60984276) is 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid is Cc1cc(Br)cc2c(C(=O)O)cc(C3CC3)nc12.
What is the InChIKey of 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid?
The InChIKey is CJPWXHFREYFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-7-4-9(15)5-10-11(14(17)18)6-12(8-2-3-8)16-13(7)10/h4-6,8H,2-3H2,1H3,(H,17,18).
What are the key properties of 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid?
6-bromo-2-cyclopropyl-8-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 6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 60984276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).