3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one

C21H18N2O — CID 2888337

IUPAC3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C21H18N2O/c24-21-18-13-7-8-14-19(18)22-20(17-11-5-2-6-12-17)23(21)15-16-9-3-1-4-10-16/h1-14,20,22H,15H2
InChIKeyICEBPVYZLBWHKE-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.45
Rot. Bonds3

About 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one

3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 2888337) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID2888337
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C21H18N2O/c24-21-18-13-7-8-14-19(18)22-20(17-11-5-2-6-12-17)23(21)15-16-9-3-1-4-10-16/h1-14,20,22H,15H2
InChIKeyICEBPVYZLBWHKE-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one (CID 2888337) is 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is ICEBPVYZLBWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21-18-13-7-8-14-19(18)22-20(17-11-5-2-6-12-17)23(21)15-16-9-3-1-4-10-16/h1-14,20,22H,15H2.
What are the key properties of 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one?
3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 314.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).