7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid

C12H9BrClNO3 — CID 71077241

IUPAC7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid
SMILESCOc1nc2c(C)c(Br)c(Cl)cc2cc1C(=O)O
InChIInChI=1S/C12H9BrClNO3/c1-5-9(13)8(14)4-6-3-7(12(16)17)11(18-2)15-10(5)6/h3-4H,1-2H3,(H,16,17)
InChIKeyZUONDZKGAQJLNN-UHFFFAOYSA-N
MW330.57 g/mol
LogP3.67
Rot. Bonds2

About 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid

7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid (PubChem CID 71077241) has the molecular formula C12H9BrClNO3 and a molecular weight of 330.57 g/mol. Its IUPAC name is 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid
PubChem CID71077241
Molecular FormulaC12H9BrClNO3
Molecular Weight330.57 g/mol
Exact Mass328.95
IUPAC Name7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid
SMILESCOc1nc2c(C)c(Br)c(Cl)cc2cc1C(=O)O
InChIInChI=1S/C12H9BrClNO3/c1-5-9(13)8(14)4-6-3-7(12(16)17)11(18-2)15-10(5)6/h3-4H,1-2H3,(H,16,17)
InChIKeyZUONDZKGAQJLNN-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384
6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
CID 165460373
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
4-bromo-5-chloro-2-fluoro-3-methylbenzoic acid
CID 146235171
6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
CID 89421780
3-bromo-2-methoxy-4,5-dimethylbenzoic acid
CID 50882990
6-fluoro-2-methoxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 174634718
6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid
CID 165456340
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
3-[(6-chloro-2-methoxy-3-methoxycarbonylquinolin-8-yl)methylamino]-3-oxopropanoic acid
CID 71077327

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid?
The IUPAC name of 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid (CID 71077241) is 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid?
The canonical SMILES for 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid is COc1nc2c(C)c(Br)c(Cl)cc2cc1C(=O)O.
What is the InChIKey of 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid?
The InChIKey is ZUONDZKGAQJLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3/c1-5-9(13)8(14)4-6-3-7(12(16)17)11(18-2)15-10(5)6/h3-4H,1-2H3,(H,16,17).
What are the key properties of 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid?
7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid has a molecular weight of 330.57 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 71077241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).