2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione

C22H12N2O4 — CID 70442650

IUPAC2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
SMILESO=c1oc(-c2ccccc2)nc2cc3c(=O)oc(-c4ccccc4)nc3cc12
InChIInChI=1S/C22H12N2O4/c25-21-15-12-18-16(22(26)28-20(24-18)14-9-5-2-6-10-14)11-17(15)23-19(27-21)13-7-3-1-4-8-13/h1-12H
InChIKeyYLIZTODYXXKULQ-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.02
Rot. Bonds2

About 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione

2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione (PubChem CID 70442650) has the molecular formula C22H12N2O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione.

Molecular Properties

Compound Name2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
PubChem CID70442650
Molecular FormulaC22H12N2O4
Molecular Weight368.35 g/mol
Exact Mass368.08
IUPAC Name2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
SMILESO=c1oc(-c2ccccc2)nc2cc3c(=O)oc(-c4ccccc4)nc3cc12
InChIInChI=1S/C22H12N2O4/c25-21-15-12-18-16(22(26)28-20(24-18)14-9-5-2-6-10-14)11-17(15)23-19(27-21)13-7-3-1-4-8-13/h1-12H
InChIKeyYLIZTODYXXKULQ-UHFFFAOYSA-N
XLogP4.02
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
The IUPAC name of 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione (CID 70442650) is 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione.
What is the SMILES notation for 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
The canonical SMILES for 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione is O=c1oc(-c2ccccc2)nc2cc3c(=O)oc(-c4ccccc4)nc3cc12.
What is the InChIKey of 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
The InChIKey is YLIZTODYXXKULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O4/c25-21-15-12-18-16(22(26)28-20(24-18)14-9-5-2-6-10-14)11-17(15)23-19(27-21)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione has a molecular weight of 368.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione is sourced from PubChem (CID 70442650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).