3-benzylquinazolin-4-one

C15H12N2O — CID 616746

IUPAC3-benzylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-13-8-4-5-9-14(13)16-11-17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyIBWZSUGBNKITMC-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.44
Rot. Bonds2

About 3-benzylquinazolin-4-one

3-benzylquinazolin-4-one (PubChem CID 616746) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-benzylquinazolin-4-one.

Molecular Properties

Compound Name3-benzylquinazolin-4-one
PubChem CID616746
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-benzylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-13-8-4-5-9-14(13)16-11-17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyIBWZSUGBNKITMC-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylquinazolin-4-one?
The IUPAC name of 3-benzylquinazolin-4-one (CID 616746) is 3-benzylquinazolin-4-one.
What is the SMILES notation for 3-benzylquinazolin-4-one?
The canonical SMILES for 3-benzylquinazolin-4-one is O=c1c2ccccc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzylquinazolin-4-one?
The InChIKey is IBWZSUGBNKITMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-13-8-4-5-9-14(13)16-11-17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 3-benzylquinazolin-4-one?
3-benzylquinazolin-4-one has a molecular weight of 236.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylquinazolin-4-one is sourced from PubChem (CID 616746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).