2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one

C22H20N4O — CID 144824650

IUPAC2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(/C=C/c3ccn(C)n3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H20N4O/c1-3-20-23-19-11-7-8-16(12-13-17-14-15-25(2)24-17)21(19)22(27)26(20)18-9-5-4-6-10-18/h4-15H,3H2,1-2H3/b13-12+
InChIKeyIUCSOYNNUVEWNN-OUKQBFOZSA-N
MW356.43 g/mol
LogP3.85
Rot. Bonds4

About 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one

2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one (PubChem CID 144824650) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one
PubChem CID144824650
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(/C=C/c3ccn(C)n3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H20N4O/c1-3-20-23-19-11-7-8-16(12-13-17-14-15-25(2)24-17)21(19)22(27)26(20)18-9-5-4-6-10-18/h4-15H,3H2,1-2H3/b13-12+
InChIKeyIUCSOYNNUVEWNN-OUKQBFOZSA-N
XLogP3.85
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-8-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-2-phenylisoquinolin-1-one
CID 144824978
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032225
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2-ethyl-3-phenylquinazolin-4-one
CID 719985
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-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
2-ethyl-5-(2-morpholin-4-ylethoxy)-3-phenylquinazolin-4-one
CID 166785362
2-amino-7-methyl-N-[1-[8-[2-(1-methylpyrazol-3-yl)ethenyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123524663
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
CID 144954674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one (CID 144824650) is 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one is CCc1nc2cccc(/C=C/c3ccn(C)n3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is IUCSOYNNUVEWNN-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H20N4O/c1-3-20-23-19-11-7-8-16(12-13-17-14-15-25(2)24-17)21(19)22(27)26(20)18-9-5-4-6-10-18/h4-15H,3H2,1-2H3/b13-12+.
What are the key properties of 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 144824650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).