2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid

C21H21NO4 — CID 7139654

IUPAC2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1OCC
InChIInChI=1S/C21H21NO4/c1-4-25-18-10-9-14(11-19(18)26-5-2)17-12-16(21(23)24)15-8-6-7-13(3)20(15)22-17/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyJMFSMLNOTRLNSB-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.71
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid

2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 7139654) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID7139654
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1OCC
InChIInChI=1S/C21H21NO4/c1-4-25-18-10-9-14(11-19(18)26-5-2)17-12-16(21(23)24)15-8-6-7-13(3)20(15)22-17/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyJMFSMLNOTRLNSB-UHFFFAOYSA-N
XLogP4.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-diethoxyphenyl)-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

2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-8-methylquinoline-4-carboxylic acid
CID 18874811

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid (CID 7139654) is 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is JMFSMLNOTRLNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-4-25-18-10-9-14(11-19(18)26-5-2)17-12-16(21(23)24)15-8-6-7-13(3)20(15)22-17/h6-12H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid?
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 7139654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).