4-benzyl-3H-quinazolin-2-one

C15H12N2O — CID 84819699

IUPAC4-benzyl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(Cc2ccccc2)[nH]1
InChIInChI=1S/C15H12N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyXLZPHYYLLXNERM-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds2

About 4-benzyl-3H-quinazolin-2-one

4-benzyl-3H-quinazolin-2-one (PubChem CID 84819699) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-benzyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-benzyl-3H-quinazolin-2-one
PubChem CID84819699
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-benzyl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(Cc2ccccc2)[nH]1
InChIInChI=1S/C15H12N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyXLZPHYYLLXNERM-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3H-quinazolin-2-one?
The IUPAC name of 4-benzyl-3H-quinazolin-2-one (CID 84819699) is 4-benzyl-3H-quinazolin-2-one.
What is the SMILES notation for 4-benzyl-3H-quinazolin-2-one?
The canonical SMILES for 4-benzyl-3H-quinazolin-2-one is O=c1nc2ccccc2c(Cc2ccccc2)[nH]1.
What is the InChIKey of 4-benzyl-3H-quinazolin-2-one?
The InChIKey is XLZPHYYLLXNERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18).
What are the key properties of 4-benzyl-3H-quinazolin-2-one?
4-benzyl-3H-quinazolin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3H-quinazolin-2-one is sourced from PubChem (CID 84819699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).