7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one

C10H10N2O2 — CID 76759373

IUPAC7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one
SMILESCC1=CC2C(=O)N=CN=C2C=C1CO
InChIInChI=1S/C10H10N2O2/c1-6-2-8-9(3-7(6)4-13)11-5-12-10(8)14/h2-3,5,8,13H,4H2,1H3
InChIKeyLATZGGNLSJJGSR-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.49
Rot. Bonds1

About 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one

7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one (PubChem CID 76759373) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one
PubChem CID76759373
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one
SMILESCC1=CC2C(=O)N=CN=C2C=C1CO
InChIInChI=1S/C10H10N2O2/c1-6-2-8-9(3-7(6)4-13)11-5-12-10(8)14/h2-3,5,8,13H,4H2,1H3
InChIKeyLATZGGNLSJJGSR-UHFFFAOYSA-N
XLogP0.49
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(hydroxymethyl)-4aH-quinazolin-4-one
CID 76651581

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one?
The IUPAC name of 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one (CID 76759373) is 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one.
What is the SMILES notation for 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one?
The canonical SMILES for 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one is CC1=CC2C(=O)N=CN=C2C=C1CO.
What is the InChIKey of 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one?
The InChIKey is LATZGGNLSJJGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-2-8-9(3-7(6)4-13)11-5-12-10(8)14/h2-3,5,8,13H,4H2,1H3.
What are the key properties of 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one?
7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-6-methyl-4aH-quinazolin-4-one is sourced from PubChem (CID 76759373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).