3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one

C12H8FN3O — CID 135838217

IUPAC3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2ccc3ccc(F)cc3c2c(=O)[nH]1
InChIInChI=1S/C12H8FN3O/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17)
InChIKeyPAISEIMJHSEYSH-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.80
Rot. Bonds

About 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one

3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838217) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one
PubChem CID135838217
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2ccc3ccc(F)cc3c2c(=O)[nH]1
InChIInChI=1S/C12H8FN3O/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17)
InChIKeyPAISEIMJHSEYSH-UHFFFAOYSA-N
XLogP1.80
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Centazolone
CID 72846
2-(3,4-dimethylanilino)-4(3H)-quinazolinone
CID 135439662
2-(3,5-dimethylanilino)-4(3H)-quinazolinone
CID 135439663
2-amino-6-methylquinazolin-4(3H)-one
CID 135474899
benzo[g]quinazolin-4(3H)-one
CID 135518939
3-Methyl-2H-benzo[f]quinazolin-1-one
CID 135838247
2-Methylbenzo[g]quinazolin-4(3H)-one
CID 135411809
3-Amino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135422913
3-amino-9-ethynyl benzo[f]quinazolin-1(2H)-one
CID 135622210
3-amino-9-vinylbenzo[f]quinazolin-1(2H)-one
CID 135838121
3,10-diamino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135838125
3-amino-8,9-dichloro-2H-benzo[f]quinazolin-1-one
CID 135838130

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one (CID 135838217) is 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one is Nc1nc2ccc3ccc(F)cc3c2c(=O)[nH]1.
What is the InChIKey of 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one?
The InChIKey is PAISEIMJHSEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17).
What are the key properties of 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one?
3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one has a molecular weight of 229.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-fluoro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).