3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid

C11H9ClN2O2 — CID 21491294

IUPAC3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid
SMILESCc1cc2nc(Cl)c(C(=O)O)nc2cc1C
InChIInChI=1S/C11H9ClN2O2/c1-5-3-7-8(4-6(5)2)14-10(12)9(13-7)11(15)16/h3-4H,1-2H3,(H,15,16)
InChIKeyHMKLFXHDMXNAOD-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.60
Rot. Bonds1

About 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid

3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid (PubChem CID 21491294) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid
PubChem CID21491294
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid
SMILESCc1cc2nc(Cl)c(C(=O)O)nc2cc1C
InChIInChI=1S/C11H9ClN2O2/c1-5-3-7-8(4-6(5)2)14-10(12)9(13-7)11(15)16/h3-4H,1-2H3,(H,15,16)
InChIKeyHMKLFXHDMXNAOD-UHFFFAOYSA-N
XLogP2.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3,6,7-trimethylquinoxaline;ethane
CID 142003452
3-chloro-5-ethyl-7-(trifluoromethyl)quinoxaline-2-carboxylic acid
CID 174636647
2,7-dichloro-4-methylquinoline-3-carboxylic acid
CID 84635838
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid
CID 67839502
3-chloro-6-(5-methoxy-2,1,3-benzoxadiazol-6-yl)-4-methylpyridine-2-carboxylic acid
CID 123991026
3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886321
2-chloro-6,7-dimethylquinolin-3-amine
CID 114553740
ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
CID 13029756
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid?
The IUPAC name of 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid (CID 21491294) is 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid?
The canonical SMILES for 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid is Cc1cc2nc(Cl)c(C(=O)O)nc2cc1C.
What is the InChIKey of 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid?
The InChIKey is HMKLFXHDMXNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-5-3-7-8(4-6(5)2)14-10(12)9(13-7)11(15)16/h3-4H,1-2H3,(H,15,16).
What are the key properties of 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid?
3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid has a molecular weight of 236.66 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid is sourced from PubChem (CID 21491294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).