6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one

C9H7F2N3O — CID 165149900

IUPAC6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one
SMILESNc1ccc2ncn(CF)c(=O)c2c1F
InChIInChI=1S/C9H7F2N3O/c10-3-14-4-13-6-2-1-5(12)8(11)7(6)9(14)15/h1-2,4H,3,12H2
InChIKeyBAPSNARFHPKZJJ-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.04
Rot. Bonds1

About 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one

6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one (PubChem CID 165149900) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one
PubChem CID165149900
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one
SMILESNc1ccc2ncn(CF)c(=O)c2c1F
InChIInChI=1S/C9H7F2N3O/c10-3-14-4-13-6-2-1-5(12)8(11)7(6)9(14)15/h1-2,4H,3,12H2
InChIKeyBAPSNARFHPKZJJ-UHFFFAOYSA-N
XLogP1.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-5-fluoro-3-(fluoromethyl)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-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one;[5-fluoro-3-(fluoromethyl)-4-oxoquinazolin-6-yl]carbamic acid
CID 175890524
6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one
CID 166465134
6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 162429420
6-(3-amino-2,6-difluoroanilino)-3,5-dimethylquinazolin-4-one
CID 165149864
2-[4-oxo-5-(trifluoromethyl)quinazolin-3-yl]acetaldehyde
CID 117263455
6-(3-amino-2-chloro-5,6-difluoroanilino)-5-fluoro-3-methylquinazolin-4-one
CID 165149922
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
CID 117263580
6-amino-3,4-difluoro-2-[3-(2-fluoroethyl)-4-oxoquinazolin-6-yl]oxybenzonitrile
CID 176812814
3-(2-aminopropyl)-5-bromoquinazolin-4-one
CID 117263719
5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one
CID 46991175
6-amino-3-[(2,4-difluorophenyl)methyl]quinazolin-4-one
CID 62197646
6-amino-3-[(4-bromo-2-fluorophenyl)methyl]quinazolin-4-one
CID 43447734

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one?
The IUPAC name of 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one (CID 165149900) is 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one.
What is the SMILES notation for 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one?
The canonical SMILES for 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one is Nc1ccc2ncn(CF)c(=O)c2c1F.
What is the InChIKey of 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one?
The InChIKey is BAPSNARFHPKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-3-14-4-13-6-2-1-5(12)8(11)7(6)9(14)15/h1-2,4H,3,12H2.
What are the key properties of 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one?
6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one has a molecular weight of 211.17 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one is sourced from PubChem (CID 165149900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).