1-methylquinazolin-2-one

C9H8N2O — CID 22914665

IUPAC1-methylquinazolin-2-one
SMILESCn1c(=O)ncc2ccccc21
InChIInChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)6-10-9(11)12/h2-6H,1H3
InChIKeyWNTYZOYZMPPLTD-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.93
Rot. Bonds

About 1-methylquinazolin-2-one

1-methylquinazolin-2-one (PubChem CID 22914665) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-methylquinazolin-2-one.

Molecular Properties

Compound Name1-methylquinazolin-2-one
PubChem CID22914665
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-methylquinazolin-2-one
SMILESCn1c(=O)ncc2ccccc21
InChIInChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)6-10-9(11)12/h2-6H,1H3
InChIKeyWNTYZOYZMPPLTD-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 1-methylquinazolin-2-one?
The IUPAC name of 1-methylquinazolin-2-one (CID 22914665) is 1-methylquinazolin-2-one.
What is the SMILES notation for 1-methylquinazolin-2-one?
The canonical SMILES for 1-methylquinazolin-2-one is Cn1c(=O)ncc2ccccc21.
What is the InChIKey of 1-methylquinazolin-2-one?
The InChIKey is WNTYZOYZMPPLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)6-10-9(11)12/h2-6H,1H3.
What are the key properties of 1-methylquinazolin-2-one?
1-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 1-methylquinazolin-2-one is sourced from PubChem (CID 22914665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).