3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one

C17H14N2O — CID 7772208

IUPAC3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C/C=C/c1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-15-10-4-5-11-16(15)18-13-19(17)12-6-9-14-7-2-1-3-8-14/h1-11,13H,12H2/b9-6+
InChIKeyOBEBLOAGMLBYQO-RMKNXTFCSA-N
MW262.31 g/mol
LogP3.11
Rot. Bonds3

About 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one

3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one (PubChem CID 7772208) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
PubChem CID7772208
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C/C=C/c1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-15-10-4-5-11-16(15)18-13-19(17)12-6-9-14-7-2-1-3-8-14/h1-11,13H,12H2/b9-6+
InChIKeyOBEBLOAGMLBYQO-RMKNXTFCSA-N
XLogP3.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 71704392
6-chloro-5-methoxy-3-[(E)-3-phenylprop-2-enyl]pyrimidin-4-one
CID 114585113
1-tert-butyl-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 75382006
6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 18100074
3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one
CID 4834365
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
CID 5395996
3-prop-2-ynylquinazolin-4-one
CID 603496
3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 11440752
1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71962728
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
The IUPAC name of 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one (CID 7772208) is 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one.
What is the SMILES notation for 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
The canonical SMILES for 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one is O=c1c2ccccc2ncn1C/C=C/c1ccccc1.
What is the InChIKey of 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
The InChIKey is OBEBLOAGMLBYQO-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-15-10-4-5-11-16(15)18-13-19(17)12-6-9-14-7-2-1-3-8-14/h1-11,13H,12H2/b9-6+.
What are the key properties of 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one has a molecular weight of 262.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one is sourced from PubChem (CID 7772208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).