5-amino-7-fluoro-3H-quinazolin-4-one

C8H6FN3O — CID 171922315

IUPAC5-amino-7-fluoro-3H-quinazolin-4-one
SMILESNc1cc(F)cc2nc[nH]c(=O)c12
InChIInChI=1S/C8H6FN3O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,10H2,(H,11,12,13)
InChIKeyBDAKSCGEUPAJJK-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.64
Rot. Bonds

About 5-amino-7-fluoro-3H-quinazolin-4-one

5-amino-7-fluoro-3H-quinazolin-4-one (PubChem CID 171922315) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-amino-7-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-amino-7-fluoro-3H-quinazolin-4-one
PubChem CID171922315
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name5-amino-7-fluoro-3H-quinazolin-4-one
SMILESNc1cc(F)cc2nc[nH]c(=O)c12
InChIInChI=1S/C8H6FN3O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,10H2,(H,11,12,13)
InChIKeyBDAKSCGEUPAJJK-UHFFFAOYSA-N
XLogP0.64
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 136951729
7-amino-5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135542052
7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 139330431
5-fluoro-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 162532898
7-bromo-5-hydroxy-3H-quinazolin-4-one
CID 139330727
5-amino-6-methyl-3H-quinazolin-4-one
CID 135703158
7-(cyclopentylamino)-5-fluoro-3H-quinazolin-4-one
CID 172702324
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619
7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135542040
7-fluoro-6-(methylamino)-3H-quinazolin-4-one
CID 146792791
7-tert-butyl-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146312110
5-fluoro-7-(methylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 166956647

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-fluoro-3H-quinazolin-4-one?
The IUPAC name of 5-amino-7-fluoro-3H-quinazolin-4-one (CID 171922315) is 5-amino-7-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 5-amino-7-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 5-amino-7-fluoro-3H-quinazolin-4-one is Nc1cc(F)cc2nc[nH]c(=O)c12.
What is the InChIKey of 5-amino-7-fluoro-3H-quinazolin-4-one?
The InChIKey is BDAKSCGEUPAJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,10H2,(H,11,12,13).
What are the key properties of 5-amino-7-fluoro-3H-quinazolin-4-one?
5-amino-7-fluoro-3H-quinazolin-4-one has a molecular weight of 179.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 171922315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).