[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate

C23H22N2O3 — CID 8825442

IUPAC[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESC=CCN(C(=O)COC(=O)c1c(C)nc2ccccc2c1C)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-4-14-25(18-10-6-5-7-11-18)21(26)15-28-23(27)22-16(2)19-12-8-9-13-20(19)24-17(22)3/h4-13H,1,14-15H2,2-3H3
InChIKeyKKPHNPYXOUZHQP-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.23
Rot. Bonds6

About [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate

[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825442) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825442
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESC=CCN(C(=O)COC(=O)c1c(C)nc2ccccc2c1C)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-4-14-25(18-10-6-5-7-11-18)21(26)15-28-23(27)22-16(2)19-12-8-9-13-20(19)24-17(22)3/h4-13H,1,14-15H2,2-3H3
InChIKeyKKPHNPYXOUZHQP-UHFFFAOYSA-N
XLogP4.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-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

[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577361
[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate
CID 9290194
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 9074543
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825443
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825008
(2-oxo-2-thiophen-2-ylethyl) 2,4-dimethylquinoline-3-carboxylate
CID 8825062
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567365
2-naphthalen-1-yloxy-N-phenyl-N-prop-2-enylacetamide
CID 112795612
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825051

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate (CID 8825442) is [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate is C=CCN(C(=O)COC(=O)c1c(C)nc2ccccc2c1C)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is KKPHNPYXOUZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-4-14-25(18-10-6-5-7-11-18)21(26)15-28-23(27)22-16(2)19-12-8-9-13-20(19)24-17(22)3/h4-13H,1,14-15H2,2-3H3.
What are the key properties of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).