6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one

C10H10FN3O — CID 73255503

IUPAC6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one
SMILESCNCC1=NC(=O)C2=CC(F)C=CC2=N1
InChIInChI=1S/C10H10FN3O/c1-12-5-9-13-8-3-2-6(11)4-7(8)10(15)14-9/h2-4,6,12H,5H2,1H3
InChIKeyIJWDLVFXYUWWIT-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.42
Rot. Bonds2

About 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one

6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one (PubChem CID 73255503) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one
PubChem CID73255503
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one
SMILESCNCC1=NC(=O)C2=CC(F)C=CC2=N1
InChIInChI=1S/C10H10FN3O/c1-12-5-9-13-8-3-2-6(11)4-7(8)10(15)14-9/h2-4,6,12H,5H2,1H3
InChIKeyIJWDLVFXYUWWIT-UHFFFAOYSA-N
XLogP0.42
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-(methylaminomethyl)-6H-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

6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
2-(Methylaminomethyl)-8-methylidenequinazolin-4-one
CID 76194542
6-bromo-2-(methylaminomethyl)-6H-quinazolin-4-one
CID 85507386
2-(aminomethyl)-6-iodo-6H-quinazolin-4-one
CID 156589385

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one (CID 73255503) is 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one is CNCC1=NC(=O)C2=CC(F)C=CC2=N1.
What is the InChIKey of 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one?
The InChIKey is IJWDLVFXYUWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-12-5-9-13-8-3-2-6(11)4-7(8)10(15)14-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one?
6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one has a molecular weight of 207.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(methylaminomethyl)-6H-quinazolin-4-one is sourced from PubChem (CID 73255503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).