7-fluoro-6-(methylamino)-3H-quinazolin-4-one

C9H8FN3O — CID 146792791

IUPAC7-fluoro-6-(methylamino)-3H-quinazolin-4-one
SMILESCNc1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C9H8FN3O/c1-11-8-2-5-7(3-6(8)10)12-4-13-9(5)14/h2-4,11H,1H3,(H,12,13,14)
InChIKeyRWDXZSISFIWXFV-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.10
Rot. Bonds1

About 7-fluoro-6-(methylamino)-3H-quinazolin-4-one

7-fluoro-6-(methylamino)-3H-quinazolin-4-one (PubChem CID 146792791) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-6-(methylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-6-(methylamino)-3H-quinazolin-4-one
PubChem CID146792791
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name7-fluoro-6-(methylamino)-3H-quinazolin-4-one
SMILESCNc1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C9H8FN3O/c1-11-8-2-5-7(3-6(8)10)12-4-13-9(5)14/h2-4,11H,1H3,(H,12,13,14)
InChIKeyRWDXZSISFIWXFV-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-6-(methylamino)-3H-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(methylamino)-3H-quinazolin-4-one?
The IUPAC name of 7-fluoro-6-(methylamino)-3H-quinazolin-4-one (CID 146792791) is 7-fluoro-6-(methylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-6-(methylamino)-3H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-6-(methylamino)-3H-quinazolin-4-one is CNc1cc2c(=O)[nH]cnc2cc1F.
What is the InChIKey of 7-fluoro-6-(methylamino)-3H-quinazolin-4-one?
The InChIKey is RWDXZSISFIWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-11-8-2-5-7(3-6(8)10)12-4-13-9(5)14/h2-4,11H,1H3,(H,12,13,14).
What are the key properties of 7-fluoro-6-(methylamino)-3H-quinazolin-4-one?
7-fluoro-6-(methylamino)-3H-quinazolin-4-one has a molecular weight of 193.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(methylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 146792791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).