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

C15H12N2O — CID 135426527

IUPAC2-benzyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyZDUVLDCZFKNYHH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds2

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

2-benzyl-3H-quinazolin-4-one (PubChem CID 135426527) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-benzyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3H-quinazolin-4-one
PubChem CID135426527
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-benzyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyZDUVLDCZFKNYHH-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 2-benzyl-3H-quinazolin-4-one?
The IUPAC name of 2-benzyl-3H-quinazolin-4-one (CID 135426527) is 2-benzyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-benzyl-3H-quinazolin-4-one?
The canonical SMILES for 2-benzyl-3H-quinazolin-4-one is O=c1[nH]c(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-benzyl-3H-quinazolin-4-one?
The InChIKey is ZDUVLDCZFKNYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18).
What are the key properties of 2-benzyl-3H-quinazolin-4-one?
2-benzyl-3H-quinazolin-4-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 2-benzyl-3H-quinazolin-4-one is sourced from PubChem (CID 135426527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).