2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid

C12H10ClNO3 — CID 82184159

IUPAC2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(C)c2c(C(=O)O)cc(Cl)nc12
InChIInChI=1S/C12H10ClNO3/c1-6-3-4-8(17-2)11-10(6)7(12(15)16)5-9(13)14-11/h3-5H,1-2H3,(H,15,16)
InChIKeyMGSFTULDLJLNIR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid

2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid (PubChem CID 82184159) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
PubChem CID82184159
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(C)c2c(C(=O)O)cc(Cl)nc12
InChIInChI=1S/C12H10ClNO3/c1-6-3-4-8(17-2)11-10(6)7(12(15)16)5-9(13)14-11/h3-5H,1-2H3,(H,15,16)
InChIKeyMGSFTULDLJLNIR-UHFFFAOYSA-N
XLogP2.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
CID 84637663
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779833
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
2-chloro-8-hydroxyquinoline-4-carboxylic acid
CID 115034200
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid (CID 82184159) is 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid is COc1ccc(C)c2c(C(=O)O)cc(Cl)nc12.
What is the InChIKey of 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid?
The InChIKey is MGSFTULDLJLNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-3-4-8(17-2)11-10(6)7(12(15)16)5-9(13)14-11/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid?
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).