1-(4-amino-2-fluorophenyl)quinazolin-4-one

C14H10FN3O — CID 82513979

IUPAC1-(4-amino-2-fluorophenyl)quinazolin-4-one
SMILESNc1ccc(-n2cnc(=O)c3ccccc32)c(F)c1
InChIInChI=1S/C14H10FN3O/c15-11-7-9(16)5-6-13(11)18-8-17-14(19)10-3-1-2-4-12(10)18/h1-8H,16H2
InChIKeyBHCKMNMRJXWPGO-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-amino-2-fluorophenyl)quinazolin-4-one

1-(4-amino-2-fluorophenyl)quinazolin-4-one (PubChem CID 82513979) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)quinazolin-4-one
PubChem CID82513979
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name1-(4-amino-2-fluorophenyl)quinazolin-4-one
SMILESNc1ccc(-n2cnc(=O)c3ccccc32)c(F)c1
InChIInChI=1S/C14H10FN3O/c15-11-7-9(16)5-6-13(11)18-8-17-14(19)10-3-1-2-4-12(10)18/h1-8H,16H2
InChIKeyBHCKMNMRJXWPGO-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-aminoethyl)phenyl]quinazolin-4-one
CID 82514357
3-(4-amino-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 103596154
1-(3-amino-4-methylphenyl)quinazolin-4-one
CID 82513868
1-(3-chloro-2-methylphenyl)quinazolin-4-one
CID 901936
1-(4-methylphenyl)quinazolin-4-one
CID 13402150
1-(3-methoxyphenyl)quinazolin-4-one
CID 70679369
6-amino-1-methylquinazolin-4-one
CID 130118535
1-methyl-1,4-benzodiazepine-2,5-dione
CID 22316535
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
1-(4-aminobutyl)quinazolin-4-one
CID 82512666
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
N-[[4-(benzimidazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 43282216

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)quinazolin-4-one?
The IUPAC name of 1-(4-amino-2-fluorophenyl)quinazolin-4-one (CID 82513979) is 1-(4-amino-2-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)quinazolin-4-one is Nc1ccc(-n2cnc(=O)c3ccccc32)c(F)c1.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)quinazolin-4-one?
The InChIKey is BHCKMNMRJXWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-7-9(16)5-6-13(11)18-8-17-14(19)10-3-1-2-4-12(10)18/h1-8H,16H2.
What are the key properties of 1-(4-amino-2-fluorophenyl)quinazolin-4-one?
1-(4-amino-2-fluorophenyl)quinazolin-4-one has a molecular weight of 255.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 82513979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).