[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate

C22H20N2O3 — CID 8577361

IUPAC[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
SMILESC=CCN(C(=O)COC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-3-13-24(17-9-5-4-6-10-17)21(25)15-27-22(26)19-14-16(2)23-20-12-8-7-11-18(19)20/h3-12,14H,1,13,15H2,2H3
InChIKeyONIZMODWSOYMPQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.92
Rot. Bonds6

About [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 8577361) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID8577361
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
SMILESC=CCN(C(=O)COC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-3-13-24(17-9-5-4-6-10-17)21(25)15-27-22(26)19-14-16(2)23-20-12-8-7-11-18(19)20/h3-12,14H,1,13,15H2,2H3
InChIKeyONIZMODWSOYMPQ-UHFFFAOYSA-N
XLogP3.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825442
[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate
CID 9290194
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907
benzyl 2-methylquinoline-4-carboxylate
CID 804130
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 9074543
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089509
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567365
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577346

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate (CID 8577361) is [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate is C=CCN(C(=O)COC(=O)c1cc(C)nc2ccccc12)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is ONIZMODWSOYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-13-24(17-9-5-4-6-10-17)21(25)15-27-22(26)19-14-16(2)23-20-12-8-7-11-18(19)20/h3-12,14H,1,13,15H2,2H3.
What are the key properties of [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.92, 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-methylquinoline-4-carboxylate is sourced from PubChem (CID 8577361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).