6-hydroxy-7-methoxy-4aH-quinazolin-4-one

C9H8N2O3 — CID 71303970

IUPAC6-hydroxy-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1O
InChIInChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-5,12H,1H3
InChIKeyLOOLYGPMWCRMCM-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.60
Rot. Bonds1

About 6-hydroxy-7-methoxy-4aH-quinazolin-4-one

6-hydroxy-7-methoxy-4aH-quinazolin-4-one (PubChem CID 71303970) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-7-methoxy-4aH-quinazolin-4-one
PubChem CID71303970
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-hydroxy-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1O
InChIInChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-5,12H,1H3
InChIKeyLOOLYGPMWCRMCM-UHFFFAOYSA-N
XLogP0.60
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-7-methoxy-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-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
CID 71650931
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
5,7-dimethoxy-4aH-quinazolin-4-one
CID 73158327
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
6-iodo-7-methoxy-4aH-quinazolin-4-one
CID 73197381
7-ethoxy-6-hydroxy-4aH-quinazolin-4-one
CID 73412209

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 6-hydroxy-7-methoxy-4aH-quinazolin-4-one (CID 71303970) is 6-hydroxy-7-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-7-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-7-methoxy-4aH-quinazolin-4-one is COC1=CC2=NC=NC(=O)C2C=C1O.
What is the InChIKey of 6-hydroxy-7-methoxy-4aH-quinazolin-4-one?
The InChIKey is LOOLYGPMWCRMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-5,12H,1H3.
What are the key properties of 6-hydroxy-7-methoxy-4aH-quinazolin-4-one?
6-hydroxy-7-methoxy-4aH-quinazolin-4-one has a molecular weight of 192.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 71303970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).