5-amino-2-phenyl-3,1-benzoxazin-4-one

C14H10N2O2 — CID 141051970

IUPAC5-amino-2-phenyl-3,1-benzoxazin-4-one
SMILESNc1cccc2nc(-c3ccccc3)oc(=O)c12
InChIInChI=1S/C14H10N2O2/c15-10-7-4-8-11-12(10)14(17)18-13(16-11)9-5-2-1-3-6-9/h1-8H,15H2
InChIKeyVZWGFZNUIPZZOC-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.44
Rot. Bonds1

About 5-amino-2-phenyl-3,1-benzoxazin-4-one

5-amino-2-phenyl-3,1-benzoxazin-4-one (PubChem CID 141051970) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-amino-2-phenyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-amino-2-phenyl-3,1-benzoxazin-4-one
PubChem CID141051970
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5-amino-2-phenyl-3,1-benzoxazin-4-one
SMILESNc1cccc2nc(-c3ccccc3)oc(=O)c12
InChIInChI=1S/C14H10N2O2/c15-10-7-4-8-11-12(10)14(17)18-13(16-11)9-5-2-1-3-6-9/h1-8H,15H2
InChIKeyVZWGFZNUIPZZOC-UHFFFAOYSA-N
XLogP2.44
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.44
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

5-benzoyl-2-phenyl-3,1-benzoxazin-4-one
CID 23126063
CID 68568728
CID 68568728
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
CID 13267780
5-chloro-2-phenyl-3,1-benzoxazin-4-one;2-[3-(difluoromethoxy)phenyl]-5-fluoro-3,1-benzoxazin-4-one
CID 70521864
2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one
CID 160663275
5,6,8-triamino-2-[4-(5,6,8-triamino-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 45274590
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl]-3,1-benzoxazin-4-one
CID 163715161
2-(3-amino-1-benzothiophen-2-yl)-3,1-benzoxazin-4-one
CID 69285183
2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one
CID 625977

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-3,1-benzoxazin-4-one?
The IUPAC name of 5-amino-2-phenyl-3,1-benzoxazin-4-one (CID 141051970) is 5-amino-2-phenyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-amino-2-phenyl-3,1-benzoxazin-4-one?
The canonical SMILES for 5-amino-2-phenyl-3,1-benzoxazin-4-one is Nc1cccc2nc(-c3ccccc3)oc(=O)c12.
What is the InChIKey of 5-amino-2-phenyl-3,1-benzoxazin-4-one?
The InChIKey is VZWGFZNUIPZZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-10-7-4-8-11-12(10)14(17)18-13(16-11)9-5-2-1-3-6-9/h1-8H,15H2.
What are the key properties of 5-amino-2-phenyl-3,1-benzoxazin-4-one?
5-amino-2-phenyl-3,1-benzoxazin-4-one has a molecular weight of 238.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 141051970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).