2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid

C13H12ClNO3 — CID 82574937

IUPAC2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
SMILESCOc1ccc(Cl)c2c(C)cc(CC(=O)O)nc12
InChIInChI=1S/C13H12ClNO3/c1-7-5-8(6-11(16)17)15-13-10(18-2)4-3-9(14)12(7)13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeySOLNVVWQSLCERA-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.83
Rot. Bonds3

About 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid

2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid (PubChem CID 82574937) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
PubChem CID82574937
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
SMILESCOc1ccc(Cl)c2c(C)cc(CC(=O)O)nc12
InChIInChI=1S/C13H12ClNO3/c1-7-5-8(6-11(16)17)15-13-10(18-2)4-3-9(14)12(7)13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeySOLNVVWQSLCERA-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic 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-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid
CID 82574919
1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
CID 82575794
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide
CID 82578414
5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine
CID 62318416
2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
CID 84634455
[5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62319205
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
CID 84637663
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid?
The IUPAC name of 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid (CID 82574937) is 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid is COc1ccc(Cl)c2c(C)cc(CC(=O)O)nc12.
What is the InChIKey of 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid?
The InChIKey is SOLNVVWQSLCERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7-5-8(6-11(16)17)15-13-10(18-2)4-3-9(14)12(7)13/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid?
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid has a molecular weight of 265.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid is sourced from PubChem (CID 82574937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).