7-methoxy-4aH-quinazolin-4-one

C9H8N2O2 — CID 76845686

IUPAC7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1
InChIInChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5,7H,1H3
InChIKeyUVMDCSOCCVWVAM-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.71
Rot. Bonds1

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

7-methoxy-4aH-quinazolin-4-one (PubChem CID 76845686) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 7-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-4aH-quinazolin-4-one
PubChem CID76845686
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1
InChIInChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5,7H,1H3
InChIKeyUVMDCSOCCVWVAM-UHFFFAOYSA-N
XLogP0.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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
6-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 73448865
7-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 76026790
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
4aH-quinazolin-4-one;ethane
CID 91370699
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
6-methoxy-8aH-isoquinolin-1-one
CID 71303980
7-methoxy-8aH-isoquinolin-1-one
CID 71304048

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 7-methoxy-4aH-quinazolin-4-one (CID 76845686) is 7-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 7-methoxy-4aH-quinazolin-4-one is COC1=CC2=NC=NC(=O)C2C=C1.
What is the InChIKey of 7-methoxy-4aH-quinazolin-4-one?
The InChIKey is UVMDCSOCCVWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5,7H,1H3.
What are the key properties of 7-methoxy-4aH-quinazolin-4-one?
7-methoxy-4aH-quinazolin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 76845686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).