5-fluoro-7-methoxy-4aH-quinazolin-4-one

C9H7FN2O2 — CID 77309909

IUPAC5-fluoro-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C(F)=C1
InChIInChI=1S/C9H7FN2O2/c1-14-5-2-6(10)8-7(3-5)11-4-12-9(8)13/h2-4,8H,1H3
InChIKeyHIZFTVQZPSKTCK-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.01
Rot. Bonds1

About 5-fluoro-7-methoxy-4aH-quinazolin-4-one

5-fluoro-7-methoxy-4aH-quinazolin-4-one (PubChem CID 77309909) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-7-methoxy-4aH-quinazolin-4-one
PubChem CID77309909
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name5-fluoro-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C(F)=C1
InChIInChI=1S/C9H7FN2O2/c1-14-5-2-6(10)8-7(3-5)11-4-12-9(8)13/h2-4,8H,1H3
InChIKeyHIZFTVQZPSKTCK-UHFFFAOYSA-N
XLogP1.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-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
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
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
(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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 5-fluoro-7-methoxy-4aH-quinazolin-4-one (CID 77309909) is 5-fluoro-7-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 5-fluoro-7-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 5-fluoro-7-methoxy-4aH-quinazolin-4-one is COC1=CC2=NC=NC(=O)C2C(F)=C1.
What is the InChIKey of 5-fluoro-7-methoxy-4aH-quinazolin-4-one?
The InChIKey is HIZFTVQZPSKTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-5-2-6(10)8-7(3-5)11-4-12-9(8)13/h2-4,8H,1H3.
What are the key properties of 5-fluoro-7-methoxy-4aH-quinazolin-4-one?
5-fluoro-7-methoxy-4aH-quinazolin-4-one has a molecular weight of 194.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 77309909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).