3-amino-2-(4-fluorophenyl)quinazolin-4-one

C14H10FN3O — CID 4052011

IUPAC3-amino-2-(4-fluorophenyl)quinazolin-4-one
SMILESNn1c(-c2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C14H10FN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2
InChIKeyLYISEFIMIOLRPY-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.92
Rot. Bonds1

About 3-amino-2-(4-fluorophenyl)quinazolin-4-one

3-amino-2-(4-fluorophenyl)quinazolin-4-one (PubChem CID 4052011) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)quinazolin-4-one
PubChem CID4052011
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-amino-2-(4-fluorophenyl)quinazolin-4-one
SMILESNn1c(-c2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C14H10FN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2
InChIKeyLYISEFIMIOLRPY-UHFFFAOYSA-N
XLogP1.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(4-fluorophenyl)quinazolin-4-one (CID 4052011) is 3-amino-2-(4-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)quinazolin-4-one is Nn1c(-c2ccc(F)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)quinazolin-4-one?
The InChIKey is LYISEFIMIOLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2.
What are the key properties of 3-amino-2-(4-fluorophenyl)quinazolin-4-one?
3-amino-2-(4-fluorophenyl)quinazolin-4-one has a molecular weight of 255.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 4052011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).