7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one

C10H10FN3O — CID 136661154

IUPAC7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one
SMILESCNCc1nc2cc(F)ccc2c(=O)[nH]1
InChIInChI=1S/C10H10FN3O/c1-12-5-9-13-8-4-6(11)2-3-7(8)10(15)14-9/h2-4,12H,5H2,1H3,(H,13,14,15)
InChIKeyYFFUBCJEZYZQBU-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.78
Rot. Bonds2

About 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one

7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one (PubChem CID 136661154) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one
PubChem CID136661154
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one
SMILESCNCc1nc2cc(F)ccc2c(=O)[nH]1
InChIInChI=1S/C10H10FN3O/c1-12-5-9-13-8-4-6(11)2-3-7(8)10(15)14-9/h2-4,12H,5H2,1H3,(H,13,14,15)
InChIKeyYFFUBCJEZYZQBU-UHFFFAOYSA-N
XLogP0.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-2-(methylaminomethyl)-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-2-(methylaminomethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one (CID 136661154) is 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one is CNCc1nc2cc(F)ccc2c(=O)[nH]1.
What is the InChIKey of 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one?
The InChIKey is YFFUBCJEZYZQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-12-5-9-13-8-4-6(11)2-3-7(8)10(15)14-9/h2-4,12H,5H2,1H3,(H,13,14,15).
What are the key properties of 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one?
7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one has a molecular weight of 207.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136661154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).