2-phenyl-3-(2-phenylethyl)quinazolin-4-one

C22H18N2O — CID 947434

IUPAC2-phenyl-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-19-13-7-8-14-20(19)23-21(18-11-5-2-6-12-18)24(22)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyKANHEDFPOIQKTH-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.31
Rot. Bonds4

About 2-phenyl-3-(2-phenylethyl)quinazolin-4-one

2-phenyl-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 947434) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylethyl)quinazolin-4-one
PubChem CID947434
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-phenyl-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-19-13-7-8-14-20(19)23-21(18-11-5-2-6-12-18)24(22)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyKANHEDFPOIQKTH-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 2-phenyl-3-(2-phenylethyl)quinazolin-4-one (CID 947434) is 2-phenyl-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-(2-phenylethyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is KANHEDFPOIQKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22-19-13-7-8-14-20(19)23-21(18-11-5-2-6-12-18)24(22)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2.
What are the key properties of 2-phenyl-3-(2-phenylethyl)quinazolin-4-one?
2-phenyl-3-(2-phenylethyl)quinazolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 947434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).