3-methylquinazolin-2-one

C9H8N2O — CID 70515486

IUPAC3-methylquinazolin-2-one
SMILESCn1cc2ccccc2nc1=O
InChIInChI=1S/C9H8N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-6H,1H3
InChIKeyFFQMDSXDKDQPSW-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.93
Rot. Bonds

About 3-methylquinazolin-2-one

3-methylquinazolin-2-one (PubChem CID 70515486) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-methylquinazolin-2-one.

Molecular Properties

Compound Name3-methylquinazolin-2-one
PubChem CID70515486
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-methylquinazolin-2-one
SMILESCn1cc2ccccc2nc1=O
InChIInChI=1S/C9H8N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-6H,1H3
InChIKeyFFQMDSXDKDQPSW-UHFFFAOYSA-N
XLogP0.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylquinazolin-2-one?
The IUPAC name of 3-methylquinazolin-2-one (CID 70515486) is 3-methylquinazolin-2-one.
What is the SMILES notation for 3-methylquinazolin-2-one?
The canonical SMILES for 3-methylquinazolin-2-one is Cn1cc2ccccc2nc1=O.
What is the InChIKey of 3-methylquinazolin-2-one?
The InChIKey is FFQMDSXDKDQPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-6H,1H3.
What are the key properties of 3-methylquinazolin-2-one?
3-methylquinazolin-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylquinazolin-2-one is sourced from PubChem (CID 70515486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).