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

C12H10ClNO2 — CID 82574820

IUPAC4-chloro-2,6-dimethylquinoline-8-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(C)cc(Cl)c2c1
InChIInChI=1S/C12H10ClNO2/c1-6-3-8-10(13)5-7(2)14-11(8)9(4-6)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyRBAGGMZLEHCMAJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.20
Rot. Bonds1

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

4-chloro-2,6-dimethylquinoline-8-carboxylic acid (PubChem CID 82574820) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2,6-dimethylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2,6-dimethylquinoline-8-carboxylic acid
PubChem CID82574820
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-2,6-dimethylquinoline-8-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(C)cc(Cl)c2c1
InChIInChI=1S/C12H10ClNO2/c1-6-3-8-10(13)5-7(2)14-11(8)9(4-6)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyRBAGGMZLEHCMAJ-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2,6-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

2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
5,6,8-trichloro-2-methylquinoline-4-carboxylic acid
CID 82574812
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
CID 82578034
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
4-chloro-2-methylquinoline-8-carboximidamide
CID 82573524
6-chloro-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 84723210
4-bromo-8-chloro-2,6-dimethylquinoline
CID 39346163

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethylquinoline-8-carboxylic acid?
The IUPAC name of 4-chloro-2,6-dimethylquinoline-8-carboxylic acid (CID 82574820) is 4-chloro-2,6-dimethylquinoline-8-carboxylic acid.
What is the SMILES notation for 4-chloro-2,6-dimethylquinoline-8-carboxylic acid?
The canonical SMILES for 4-chloro-2,6-dimethylquinoline-8-carboxylic acid is Cc1cc(C(=O)O)c2nc(C)cc(Cl)c2c1.
What is the InChIKey of 4-chloro-2,6-dimethylquinoline-8-carboxylic acid?
The InChIKey is RBAGGMZLEHCMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-6-3-8-10(13)5-7(2)14-11(8)9(4-6)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 4-chloro-2,6-dimethylquinoline-8-carboxylic acid?
4-chloro-2,6-dimethylquinoline-8-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethylquinoline-8-carboxylic acid is sourced from PubChem (CID 82574820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).