6-methoxy-8-methylquinoline-4-carboxylic acid

C12H11NO3 — CID 83640648

IUPAC6-methoxy-8-methylquinoline-4-carboxylic acid
SMILESCOc1cc(C)c2nccc(C(=O)O)c2c1
InChIInChI=1S/C12H11NO3/c1-7-5-8(16-2)6-10-9(12(14)15)3-4-13-11(7)10/h3-6H,1-2H3,(H,14,15)
InChIKeyUFSQNYIHVWYTMJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.25
Rot. Bonds2

About 6-methoxy-8-methylquinoline-4-carboxylic acid

6-methoxy-8-methylquinoline-4-carboxylic acid (PubChem CID 83640648) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-methoxy-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-8-methylquinoline-4-carboxylic acid
PubChem CID83640648
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6-methoxy-8-methylquinoline-4-carboxylic acid
SMILESCOc1cc(C)c2nccc(C(=O)O)c2c1
InChIInChI=1S/C12H11NO3/c1-7-5-8(16-2)6-10-9(12(14)15)3-4-13-11(7)10/h3-6H,1-2H3,(H,14,15)
InChIKeyUFSQNYIHVWYTMJ-UHFFFAOYSA-N
XLogP2.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-8-methylquinoline-4-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

8-hydroxy-6-methoxyquinoline-4-carboxylic acid
CID 174995334
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
6-fluoro-8-methoxyquinoline-4-carboxylic acid
CID 102941769
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
5-methoxy-7-methyl-2H-indazole-3-carboxylic acid
CID 24729297
3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118704420
ethyl 6-methoxy-8-nitroquinoline-4-carboxylate
CID 623967
5-methoxy-3-methyl-2-sulfanylbenzoic acid
CID 91874590
2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid
CID 53491075
5-bromo-7-methoxyisoquinoline-1-carboxylic acid
CID 125426673

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-methoxy-8-methylquinoline-4-carboxylic acid (CID 83640648) is 6-methoxy-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-methoxy-8-methylquinoline-4-carboxylic acid is COc1cc(C)c2nccc(C(=O)O)c2c1.
What is the InChIKey of 6-methoxy-8-methylquinoline-4-carboxylic acid?
The InChIKey is UFSQNYIHVWYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-5-8(16-2)6-10-9(12(14)15)3-4-13-11(7)10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-8-methylquinoline-4-carboxylic acid?
6-methoxy-8-methylquinoline-4-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 83640648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).