3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one

C9H12N2O2 — CID 71468618

IUPAC3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one
SMILESCc1c2c(nc(=O)n1O)CCCC2
InChIInChI=1S/C9H12N2O2/c1-6-7-4-2-3-5-8(7)10-9(12)11(6)13/h13H,2-5H2,1H3
InChIKeyGTFICTKZDIYJHG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.67
Rot. Bonds

About 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one

3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one (PubChem CID 71468618) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one
PubChem CID71468618
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one
SMILESCc1c2c(nc(=O)n1O)CCCC2
InChIInChI=1S/C9H12N2O2/c1-6-7-4-2-3-5-8(7)10-9(12)11(6)13/h13H,2-5H2,1H3
InChIKeyGTFICTKZDIYJHG-UHFFFAOYSA-N
XLogP0.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one?
The IUPAC name of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one (CID 71468618) is 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one is Cc1c2c(nc(=O)n1O)CCCC2.
What is the InChIKey of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one?
The InChIKey is GTFICTKZDIYJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-7-4-2-3-5-8(7)10-9(12)11(6)13/h13H,2-5H2,1H3.
What are the key properties of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one?
3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 71468618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).