(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one

C17H13FN4O2 — CID 134114693

IUPAC(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one
SMILESO=c1c2ccccc2nc2n1CCO/C2=N/Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4O2/c18-11-5-7-12(8-6-11)20-21-16-15-19-14-4-2-1-3-13(14)17(23)22(15)9-10-24-16/h1-8,20H,9-10H2/b21-16+
InChIKeyJHAJSBXJZBGMFJ-LTGZKZEYSA-N
MW324.32 g/mol
LogP2.34
Rot. Bonds2

About (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one

(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one (PubChem CID 134114693) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one.

Molecular Properties

Compound Name(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one
PubChem CID134114693
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one
SMILESO=c1c2ccccc2nc2n1CCO/C2=N/Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4O2/c18-11-5-7-12(8-6-11)20-21-16-15-19-14-4-2-1-3-13(14)17(23)22(15)9-10-24-16/h1-8,20H,9-10H2/b21-16+
InChIKeyJHAJSBXJZBGMFJ-LTGZKZEYSA-N
XLogP2.34
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one?
The IUPAC name of (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one (CID 134114693) is (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one.
What is the SMILES notation for (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one?
The canonical SMILES for (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one is O=c1c2ccccc2nc2n1CCO/C2=N/Nc1ccc(F)cc1.
What is the InChIKey of (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one?
The InChIKey is JHAJSBXJZBGMFJ-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-11-5-7-12(8-6-11)20-21-16-15-19-14-4-2-1-3-13(14)17(23)22(15)9-10-24-16/h1-8,20H,9-10H2/b21-16+.
What are the key properties of (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one?
(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one has a molecular weight of 324.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one is sourced from PubChem (CID 134114693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).