ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate

C19H17NO4 — CID 155209376

IUPACethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3ccc(OC)cc3)cc(=O)c2c1
InChIInChI=1S/C19H17NO4/c1-3-24-19(22)13-6-9-16-15(10-13)18(21)11-17(20-16)12-4-7-14(23-2)8-5-12/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyJASKCGMRIQRIRU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate

ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 155209376) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
PubChem CID155209376
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3ccc(OC)cc3)cc(=O)c2c1
InChIInChI=1S/C19H17NO4/c1-3-24-19(22)13-6-9-16-15(10-13)18(21)11-17(20-16)12-4-7-14(23-2)8-5-12/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyJASKCGMRIQRIRU-UHFFFAOYSA-N
XLogP3.38
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate 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

ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 13421655
ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
CID 155209422
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
ethyl 1-cyclohexyl-2-(4-oxo-2-phenyl-1H-quinolin-6-yl)benzimidazole-5-carboxylate
CID 86600381
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 7109613
ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 102087405
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
[4-[2-(4-butanoyloxyphenyl)-4,9-dioxo-1,6-dihydropyrido[2,3-g]quinolin-7-yl]phenyl] butanoate
CID 139781772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate (CID 155209376) is ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(-c3ccc(OC)cc3)cc(=O)c2c1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is JASKCGMRIQRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-24-19(22)13-6-9-16-15(10-13)18(21)11-17(20-16)12-4-7-14(23-2)8-5-12/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 155209376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).