6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid

C12H9BrClNO2 — CID 175016317

IUPAC6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(Br)cc2c(Cl)c1C
InChIInChI=1S/C12H9BrClNO2/c1-5-6(2)15-11-8(10(5)14)3-7(13)4-9(11)12(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyMZVFAZDRGRGGRE-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.97
Rot. Bonds1

About 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid

6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid (PubChem CID 175016317) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
PubChem CID175016317
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(Br)cc2c(Cl)c1C
InChIInChI=1S/C12H9BrClNO2/c1-5-6(2)15-11-8(10(5)14)3-7(13)4-9(11)12(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyMZVFAZDRGRGGRE-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-chloro-2,3-dimethylquinoline-8-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-4-chloro-8-methylquinoline-3-carboxylic acid
CID 131289686
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
CID 167718232
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
5-bromo-2-chloro-3-ethylbenzoic acid
CID 20977666
4-chloro-5,6-dimethylbenzene-1,3-dicarboxylic acid
CID 174519549
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745
6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
CID 81289001
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
6-bromo-1-methylbenzotriazole-4-carboxylic acid
CID 135368087
6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid
CID 103083182

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid?
The IUPAC name of 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid (CID 175016317) is 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid.
What is the SMILES notation for 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid?
The canonical SMILES for 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid is Cc1nc2c(C(=O)O)cc(Br)cc2c(Cl)c1C.
What is the InChIKey of 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid?
The InChIKey is MZVFAZDRGRGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c1-5-6(2)15-11-8(10(5)14)3-7(13)4-9(11)12(16)17/h3-4H,1-2H3,(H,16,17).
What are the key properties of 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid?
6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid has a molecular weight of 314.57 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid is sourced from PubChem (CID 175016317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).