4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide

C17H15N3O2 — CID 135653744

IUPAC4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
SMILESCC(NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-11(12-7-3-2-4-8-12)18-17(22)15-19-14-10-6-5-9-13(14)16(21)20-15/h2-11H,1H3,(H,18,22)(H,19,20,21)
InChIKeyFALNCCFILVEYCV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.41
Rot. Bonds3

About 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide

4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide (PubChem CID 135653744) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
PubChem CID135653744
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
SMILESCC(NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-11(12-7-3-2-4-8-12)18-17(22)15-19-14-10-6-5-9-13(14)16(21)20-15/h2-11H,1H3,(H,18,22)(H,19,20,21)
InChIKeyFALNCCFILVEYCV-UHFFFAOYSA-N
XLogP2.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136837271
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136782968
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136829251
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 59106006
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide (CID 135653744) is 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide is CC(NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide?
The InChIKey is FALNCCFILVEYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11(12-7-3-2-4-8-12)18-17(22)15-19-14-10-6-5-9-13(14)16(21)20-15/h2-11H,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide?
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135653744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).