3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid

C15H17NO4 — CID 82577979

IUPAC3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
SMILESCOc1cc2nc(CCC(=O)O)cc(C)c2cc1OC
InChIInChI=1S/C15H17NO4/c1-9-6-10(4-5-15(17)18)16-12-8-14(20-3)13(19-2)7-11(9)12/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyKLVXMESUKRQWLQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.58
Rot. Bonds5

About 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid

3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid (PubChem CID 82577979) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
PubChem CID82577979
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
SMILESCOc1cc2nc(CCC(=O)O)cc(C)c2cc1OC
InChIInChI=1S/C15H17NO4/c1-9-6-10(4-5-15(17)18)16-12-8-14(20-3)13(19-2)7-11(9)12/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyKLVXMESUKRQWLQ-UHFFFAOYSA-N
XLogP2.58
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic 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

methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
CID 82578176
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propan-1-ol
CID 70764320
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
CID 53264216
1-(6,7-dimethoxy-4-methylquinolin-2-yl)ethanol
CID 82576000
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-(6,7-dimethoxy-4-methylquinolin-2-yl)-6-methoxyphenol
CID 169417890
6,7-dimethoxy-N,N,4-trimethylquinolin-2-amine
CID 135106538
4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid?
The IUPAC name of 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid (CID 82577979) is 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid?
The canonical SMILES for 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid is COc1cc2nc(CCC(=O)O)cc(C)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid?
The InChIKey is KLVXMESUKRQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-6-10(4-5-15(17)18)16-12-8-14(20-3)13(19-2)7-11(9)12/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid?
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid is sourced from PubChem (CID 82577979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).