6-methyl-3H-quinazolin-4-one

C9H8N2O — CID 135452442

IUPAC6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C9H8N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5H,1H3,(H,10,11,12)
InChIKeyJUCDXPIFJIVICL-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.23
Rot. Bonds

About 6-methyl-3H-quinazolin-4-one

6-methyl-3H-quinazolin-4-one (PubChem CID 135452442) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3H-quinazolin-4-one
PubChem CID135452442
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C9H8N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5H,1H3,(H,10,11,12)
InChIKeyJUCDXPIFJIVICL-UHFFFAOYSA-N
XLogP1.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-methyl-3H-quinazolin-4-one (CID 135452442) is 6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-methyl-3H-quinazolin-4-one is Cc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-methyl-3H-quinazolin-4-one?
The InChIKey is JUCDXPIFJIVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5H,1H3,(H,10,11,12).
What are the key properties of 6-methyl-3H-quinazolin-4-one?
6-methyl-3H-quinazolin-4-one has a molecular weight of 160.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135452442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).