(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide

C13H13N3O2 — CID 141169249

IUPAC(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C13H13N3O2/c1-2-14-12(17)6-4-9-3-5-11-10(7-9)13(18)16-8-15-11/h3-8H,2H2,1H3,(H,14,17)(H,15,16,18)/b6-4+
InChIKeyDHRWKYSNYCUYOC-GQCTYLIASA-N
MW243.27 g/mol
LogP1.07
Rot. Bonds3

About (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide

(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide (PubChem CID 141169249) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
PubChem CID141169249
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C13H13N3O2/c1-2-14-12(17)6-4-9-3-5-11-10(7-9)13(18)16-8-15-11/h3-8H,2H2,1H3,(H,14,17)(H,15,16,18)/b6-4+
InChIKeyDHRWKYSNYCUYOC-GQCTYLIASA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide with MolForge

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Related Compounds

ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
CID 136696075
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
6-[3-(methylamino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-3H-quinazolin-4-one
CID 170815121
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634
tert-butyl N-[3-fluoro-2-[hydroxy-(4-oxo-3H-quinazolin-6-yl)methyl]prop-2-enyl]carbamate
CID 175408459
N-ethyl-3-[3-(3-methylbutan-2-yl)phenyl]prop-2-enamide
CID 123524721
6-phenyl-3H-quinazolin-4-one
CID 135741302
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide (CID 141169249) is (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide is CCNC(=O)/C=C/c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
The InChIKey is DHRWKYSNYCUYOC-GQCTYLIASA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-14-12(17)6-4-9-3-5-11-10(7-9)13(18)16-8-15-11/h3-8H,2H2,1H3,(H,14,17)(H,15,16,18)/b6-4+.
What are the key properties of (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide?
(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide has a molecular weight of 243.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide is sourced from PubChem (CID 141169249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).