6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid

C13H12BrNO3 — CID 107579495

IUPAC6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2cc(C)c(Br)c(C)c12
InChIInChI=1S/C13H12BrNO3/c1-6-4-8-11(7(2)12(6)14)10(18-3)5-9(15-8)13(16)17/h4-5H,1-3H3,(H,16,17)
InChIKeyILULXSTWSXIKHQ-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.32
Rot. Bonds2

About 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid

6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid (PubChem CID 107579495) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
PubChem CID107579495
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2cc(C)c(Br)c(C)c12
InChIInChI=1S/C13H12BrNO3/c1-6-4-8-11(7(2)12(6)14)10(18-3)5-9(15-8)13(16)17/h4-5H,1-3H3,(H,16,17)
InChIKeyILULXSTWSXIKHQ-UHFFFAOYSA-N
XLogP3.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11000344
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
CID 67026980
CID 67026980
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
CID 91509956
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid
CID 20564285
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid?
The IUPAC name of 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid (CID 107579495) is 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid.
What is the SMILES notation for 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid?
The canonical SMILES for 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2cc(C)c(Br)c(C)c12.
What is the InChIKey of 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid?
The InChIKey is ILULXSTWSXIKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-6-4-8-11(7(2)12(6)14)10(18-3)5-9(15-8)13(16)17/h4-5H,1-3H3,(H,16,17).
What are the key properties of 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid?
6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid has a molecular weight of 310.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid is sourced from PubChem (CID 107579495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).