3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine

C16H12N2O2 — CID 22639485

IUPAC3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine
SMILESC1=C(C2=Cc3ccccc3ON2)NOc2ccccc21
InChIInChI=1S/C16H12N2O2/c1-3-7-15-11(5-1)9-13(17-19-15)14-10-12-6-2-4-8-16(12)20-18-14/h1-10,17-18H
InChIKeyMIWXSMRPCNTMEF-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.86
Rot. Bonds1

About 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine

3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine (PubChem CID 22639485) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine
PubChem CID22639485
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine
SMILESC1=C(C2=Cc3ccccc3ON2)NOc2ccccc21
InChIInChI=1S/C16H12N2O2/c1-3-7-15-11(5-1)9-13(17-19-15)14-10-12-6-2-4-8-16(12)20-18-14/h1-10,17-18H
InChIKeyMIWXSMRPCNTMEF-UHFFFAOYSA-N
XLogP2.86
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine?
The IUPAC name of 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine (CID 22639485) is 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine.
What is the SMILES notation for 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine?
The canonical SMILES for 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine is C1=C(C2=Cc3ccccc3ON2)NOc2ccccc21.
What is the InChIKey of 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine?
The InChIKey is MIWXSMRPCNTMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-3-7-15-11(5-1)9-13(17-19-15)14-10-12-6-2-4-8-16(12)20-18-14/h1-10,17-18H.
What are the key properties of 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine?
3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine has a molecular weight of 264.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-1,2-benzoxazin-3-yl)-2H-1,2-benzoxazine is sourced from PubChem (CID 22639485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).