7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C14H13N3O2 — CID 130238060

IUPAC7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESNc1cnc2c(c1)C(=O)N(c1ccccc1)CCO2
InChIInChI=1S/C14H13N3O2/c15-10-8-12-13(16-9-10)19-7-6-17(14(12)18)11-4-2-1-3-5-11/h1-5,8-9H,6-7,15H2
InChIKeyURZQJSLJIRBTDB-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds1

About 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 130238060) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID130238060
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESNc1cnc2c(c1)C(=O)N(c1ccccc1)CCO2
InChIInChI=1S/C14H13N3O2/c15-10-8-12-13(16-9-10)19-7-6-17(14(12)18)11-4-2-1-3-5-11/h1-5,8-9H,6-7,15H2
InChIKeyURZQJSLJIRBTDB-UHFFFAOYSA-N
XLogP1.70
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 130238060) is 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is Nc1cnc2c(c1)C(=O)N(c1ccccc1)CCO2.
What is the InChIKey of 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is URZQJSLJIRBTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-10-8-12-13(16-9-10)19-7-6-17(14(12)18)11-4-2-1-3-5-11/h1-5,8-9H,6-7,15H2.
What are the key properties of 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 255.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 130238060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).