4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid

C22H23NO6 — CID 22097630

IUPAC4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
SMILESCCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1C(=O)O
InChIInChI=1S/C22H23NO6/c1-6-14-21(22(24)25)20(12-7-8-16(26-2)17(9-12)27-3)13-10-18(28-4)19(29-5)11-15(13)23-14/h7-11H,6H2,1-5H3,(H,24,25)
InChIKeyYRFUWQYAAFTNMZ-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.20
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid

4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid (PubChem CID 22097630) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
PubChem CID22097630
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
SMILESCCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1C(=O)O
InChIInChI=1S/C22H23NO6/c1-6-14-21(22(24)25)20(12-7-8-16(26-2)17(9-12)27-3)13-10-18(28-4)19(29-5)11-15(13)23-14/h7-11H,6H2,1-5H3,(H,24,25)
InChIKeyYRFUWQYAAFTNMZ-UHFFFAOYSA-N
XLogP4.20
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid (CID 22097630) is 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid is CCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1C(=O)O.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
The InChIKey is YRFUWQYAAFTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-6-14-21(22(24)25)20(12-7-8-16(26-2)17(9-12)27-3)13-10-18(28-4)19(29-5)11-15(13)23-14/h7-11H,6H2,1-5H3,(H,24,25).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 22097630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).