2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid

C19H17NO4 — CID 7139832

IUPAC2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
SMILESCCOc1cccc(-c2cc(C(=O)O)c3cccc(OC)c3n2)c1
InChIInChI=1S/C19H17NO4/c1-3-24-13-7-4-6-12(10-13)16-11-15(19(21)22)14-8-5-9-17(23-2)18(14)20-16/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyFDZFGYGALRXZIN-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.01
Rot. Bonds5

About 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid

2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid (PubChem CID 7139832) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
PubChem CID7139832
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
SMILESCCOc1cccc(-c2cc(C(=O)O)c3cccc(OC)c3n2)c1
InChIInChI=1S/C19H17NO4/c1-3-24-13-7-4-6-12(10-13)16-11-15(19(21)22)14-8-5-9-17(23-2)18(14)20-16/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyFDZFGYGALRXZIN-UHFFFAOYSA-N
XLogP4.01
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethoxyphenyl)-8-methoxyquinoline-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-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139876
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
N-(4-ethoxyphenyl)-2-(8-methoxy-2-phenylquinolin-4-yl)oxyacetamide
CID 46298848
7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
CID 46779458
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
(3,5-dimethylpiperidin-1-yl)-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 2887233
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 1223536

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid (CID 7139832) is 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid is CCOc1cccc(-c2cc(C(=O)O)c3cccc(OC)c3n2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid?
The InChIKey is FDZFGYGALRXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-24-13-7-4-6-12(10-13)16-11-15(19(21)22)14-8-5-9-17(23-2)18(14)20-16/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid?
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 7139832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).