2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile

C17H13N3O — CID 123768528

IUPAC2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
SMILESCCc1nc2cccc(C#N)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H13N3O/c1-2-15-19-14-10-6-7-12(11-18)16(14)17(21)20(15)13-8-4-3-5-9-13/h3-10H,2H2,1H3
InChIKeyRPMVKJJZMBVJNY-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.82
Rot. Bonds2

About 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile

2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile (PubChem CID 123768528) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
PubChem CID123768528
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
SMILESCCc1nc2cccc(C#N)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H13N3O/c1-2-15-19-14-10-6-7-12(11-18)16(14)17(21)20(15)13-8-4-3-5-9-13/h3-10H,2H2,1H3
InChIKeyRPMVKJJZMBVJNY-UHFFFAOYSA-N
XLogP2.82
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824878
4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144954490
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90233173
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
CID 144954835
2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
CID 144824441
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methoxypyrimidin-2-yl)-3-phenylquinazolin-4-one
CID 144954589
5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
2-ethyl-7-ethynyl-1-phenylbenzimidazole
CID 130236073

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile?
The IUPAC name of 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile (CID 123768528) is 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile.
What is the SMILES notation for 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile?
The canonical SMILES for 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile is CCc1nc2cccc(C#N)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile?
The InChIKey is RPMVKJJZMBVJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-15-19-14-10-6-7-12(11-18)16(14)17(21)20(15)13-8-4-3-5-9-13/h3-10H,2H2,1H3.
What are the key properties of 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile?
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile is sourced from PubChem (CID 123768528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).