12H-quinoxalino[2,3-b][1,4]benzoxazine

C14H9N3O — CID 736801

IUPAC12H-quinoxalino[2,3-b][1,4]benzoxazine
SMILESc1ccc2c(c1)Nc1nc3ccccc3nc1O2
InChIInChI=1S/C14H9N3O/c1-2-6-10-9(5-1)15-13-14(17-10)18-12-8-4-3-7-11(12)16-13/h1-8H,(H,15,16)
InChIKeyDVVDOLPZDYBCBZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.48
Rot. Bonds

About 12H-quinoxalino[2,3-b][1,4]benzoxazine

12H-quinoxalino[2,3-b][1,4]benzoxazine (PubChem CID 736801) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 12H-quinoxalino[2,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name12H-quinoxalino[2,3-b][1,4]benzoxazine
PubChem CID736801
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name12H-quinoxalino[2,3-b][1,4]benzoxazine
SMILESc1ccc2c(c1)Nc1nc3ccccc3nc1O2
InChIInChI=1S/C14H9N3O/c1-2-6-10-9(5-1)15-13-14(17-10)18-12-8-4-3-7-11(12)16-13/h1-8H,(H,15,16)
InChIKeyDVVDOLPZDYBCBZ-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12H-quinoxalino[2,3-b][1,4]benzoxazine?
The IUPAC name of 12H-quinoxalino[2,3-b][1,4]benzoxazine (CID 736801) is 12H-quinoxalino[2,3-b][1,4]benzoxazine.
What is the SMILES notation for 12H-quinoxalino[2,3-b][1,4]benzoxazine?
The canonical SMILES for 12H-quinoxalino[2,3-b][1,4]benzoxazine is c1ccc2c(c1)Nc1nc3ccccc3nc1O2.
What is the InChIKey of 12H-quinoxalino[2,3-b][1,4]benzoxazine?
The InChIKey is DVVDOLPZDYBCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-6-10-9(5-1)15-13-14(17-10)18-12-8-4-3-7-11(12)16-13/h1-8H,(H,15,16).
What are the key properties of 12H-quinoxalino[2,3-b][1,4]benzoxazine?
12H-quinoxalino[2,3-b][1,4]benzoxazine has a molecular weight of 235.25 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-quinoxalino[2,3-b][1,4]benzoxazine is sourced from PubChem (CID 736801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).