2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one

C25H22N2O — CID 118735048

IUPAC2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
SMILESCCCn1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H22N2O/c1-2-18-27-24(26-23-15-9-8-14-22(23)25(27)28)21-13-7-6-12-20(21)17-16-19-10-4-3-5-11-19/h3-17H,2,18H2,1H3/b17-16+
InChIKeyRFHUGTAWUGCYAP-WUKNDPDISA-N
MW366.46 g/mol
LogP5.64
Rot. Bonds5

About 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one

2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one (PubChem CID 118735048) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
PubChem CID118735048
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
SMILESCCCn1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H22N2O/c1-2-18-27-24(26-23-15-9-8-14-22(23)25(27)28)21-13-7-6-12-20(21)17-16-19-10-4-3-5-11-19/h3-17H,2,18H2,1H3/b17-16+
InChIKeyRFHUGTAWUGCYAP-WUKNDPDISA-N
XLogP5.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735060
3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050
3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735055
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
2-anilino-3-propylquinazolin-4-one
CID 10901968
2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
CID 58776627
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 2870092
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one (CID 118735048) is 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one is CCCn1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one?
The InChIKey is RFHUGTAWUGCYAP-WUKNDPDISA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-18-27-24(26-23-15-9-8-14-22(23)25(27)28)21-13-7-6-12-20(21)17-16-19-10-4-3-5-11-19/h3-17H,2,18H2,1H3/b17-16+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one?
2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one has a molecular weight of 366.46 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 118735048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).