(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide

C21H22N2O2 — CID 83287705

IUPAC(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc21
InChIInChI=1S/C21H22N2O2/c1-3-23-19-11-10-18(14-17(19)9-13-21(23)25)22-20(24)12-8-16-6-4-15(2)5-7-16/h4-8,10-12,14H,3,9,13H2,1-2H3,(H,22,24)/b12-8+
InChIKeyIXJHEPHRGFEPFI-XYOKQWHBSA-N
MW334.42 g/mol
LogP3.95
Rot. Bonds4

About (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 83287705) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID83287705
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc21
InChIInChI=1S/C21H22N2O2/c1-3-23-19-11-10-18(14-17(19)9-13-21(23)25)22-20(24)12-8-16-6-4-15(2)5-7-16/h4-8,10-12,14H,3,9,13H2,1-2H3,(H,22,24)/b12-8+
InChIKeyIXJHEPHRGFEPFI-XYOKQWHBSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-phenylphenyl)acetamide
CID 40946959
phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 86791329
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
CID 71842967
1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 82173929

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide (CID 83287705) is (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide is CCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc21.
What is the InChIKey of (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is IXJHEPHRGFEPFI-XYOKQWHBSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-23-19-11-10-18(14-17(19)9-13-21(23)25)22-20(24)12-8-16-6-4-15(2)5-7-16/h4-8,10-12,14H,3,9,13H2,1-2H3,(H,22,24)/b12-8+.
What are the key properties of (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 83287705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).