2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide

C12H11N3O2 — CID 110702484

IUPAC2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
SMILESC=CCNC(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C12H11N3O2/c1-2-7-13-11(16)10-8-5-3-4-6-9(8)14-12(17)15-10/h2-6H,1,7H2,(H,13,16)(H,14,15,17)
InChIKeyAEQIULDGNKEJCJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.84
Rot. Bonds3

About 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide

2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide (PubChem CID 110702484) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
PubChem CID110702484
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
SMILESC=CCNC(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C12H11N3O2/c1-2-7-13-11(16)10-8-5-3-4-6-9(8)14-12(17)15-10/h2-6H,1,7H2,(H,13,16)(H,14,15,17)
InChIKeyAEQIULDGNKEJCJ-UHFFFAOYSA-N
XLogP0.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702557
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702552
N-(2-fluorophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702579
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702604
2-(3-hydroxy-2-oxo-1H-quinolin-4-yl)-N-prop-2-enylacetamide
CID 23857616
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
CID 110848091
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide
CID 110702531

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide?
The IUPAC name of 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide (CID 110702484) is 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide is C=CCNC(=O)c1nc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide?
The InChIKey is AEQIULDGNKEJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-2-7-13-11(16)10-8-5-3-4-6-9(8)14-12(17)15-10/h2-6H,1,7H2,(H,13,16)(H,14,15,17).
What are the key properties of 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide?
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).