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

C25H20N2O — CID 118735050

IUPAC3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CC1
InChIInChI=1S/C25H20N2O/c28-25-22-12-6-7-13-23(22)26-24(27(25)20-16-17-20)21-11-5-4-10-19(21)15-14-18-8-2-1-3-9-18/h1-15,20H,16-17H2/b15-14+
InChIKeyNHDFBKDDROXSEL-CCEZHUSRSA-N
MW364.45 g/mol
LogP5.57
Rot. Bonds4

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

3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one (PubChem CID 118735050) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
PubChem CID118735050
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CC1
InChIInChI=1S/C25H20N2O/c28-25-22-12-6-7-13-23(22)26-24(27(25)20-16-17-20)21-11-5-4-10-19(21)15-14-18-8-2-1-3-9-18/h1-15,20H,16-17H2/b15-14+
InChIKeyNHDFBKDDROXSEL-CCEZHUSRSA-N
XLogP5.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one (CID 118735050) is 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The InChIKey is NHDFBKDDROXSEL-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H20N2O/c28-25-22-12-6-7-13-23(22)26-24(27(25)20-16-17-20)21-11-5-4-10-19(21)15-14-18-8-2-1-3-9-18/h1-15,20H,16-17H2/b15-14+.
What are the key properties of 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 118735050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).