2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid

C13H12ClNO2 — CID 82574993

IUPAC2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
SMILESCc1cc(CC(=O)O)c2nc(C)cc(Cl)c2c1
InChIInChI=1S/C13H12ClNO2/c1-7-3-9(6-12(16)17)13-10(4-7)11(14)5-8(2)15-13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyQGKWMDKPIRJPNR-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid

2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid (PubChem CID 82574993) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
PubChem CID82574993
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
SMILESCc1cc(CC(=O)O)c2nc(C)cc(Cl)c2c1
InChIInChI=1S/C13H12ClNO2/c1-7-3-9(6-12(16)17)13-10(4-7)11(14)5-8(2)15-13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyQGKWMDKPIRJPNR-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
CID 82578034
methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
CID 82578256
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
CID 117289539
5,6,8-trichloro-2-methylquinoline-4-carboxylic acid
CID 82574812
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid?
The IUPAC name of 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid (CID 82574993) is 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid is Cc1cc(CC(=O)O)c2nc(C)cc(Cl)c2c1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid?
The InChIKey is QGKWMDKPIRJPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-7-3-9(6-12(16)17)13-10(4-7)11(14)5-8(2)15-13/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid?
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid has a molecular weight of 249.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid is sourced from PubChem (CID 82574993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).