12H-naphtho[1,2-g][1,2]benzoxazine

C16H11NO — CID 67117305

IUPAC12H-naphtho[1,2-g][1,2]benzoxazine
SMILESC1=NOC2=Cc3ccc4ccccc4c3CC2=C1
InChIInChI=1S/C16H11NO/c1-2-4-14-11(3-1)5-6-12-10-16-13(9-15(12)14)7-8-17-18-16/h1-8,10H,9H2
InChIKeyVKQAFQHYTKYTON-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.68
Rot. Bonds

About 12H-naphtho[1,2-g][1,2]benzoxazine

12H-naphtho[1,2-g][1,2]benzoxazine (PubChem CID 67117305) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 12H-naphtho[1,2-g][1,2]benzoxazine.

Molecular Properties

Compound Name12H-naphtho[1,2-g][1,2]benzoxazine
PubChem CID67117305
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name12H-naphtho[1,2-g][1,2]benzoxazine
SMILESC1=NOC2=Cc3ccc4ccccc4c3CC2=C1
InChIInChI=1S/C16H11NO/c1-2-4-14-11(3-1)5-6-12-10-16-13(9-15(12)14)7-8-17-18-16/h1-8,10H,9H2
InChIKeyVKQAFQHYTKYTON-UHFFFAOYSA-N
XLogP3.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12H-naphtho[1,2-g][1,2]benzoxazine?
The IUPAC name of 12H-naphtho[1,2-g][1,2]benzoxazine (CID 67117305) is 12H-naphtho[1,2-g][1,2]benzoxazine.
What is the SMILES notation for 12H-naphtho[1,2-g][1,2]benzoxazine?
The canonical SMILES for 12H-naphtho[1,2-g][1,2]benzoxazine is C1=NOC2=Cc3ccc4ccccc4c3CC2=C1.
What is the InChIKey of 12H-naphtho[1,2-g][1,2]benzoxazine?
The InChIKey is VKQAFQHYTKYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c1-2-4-14-11(3-1)5-6-12-10-16-13(9-15(12)14)7-8-17-18-16/h1-8,10H,9H2.
What are the key properties of 12H-naphtho[1,2-g][1,2]benzoxazine?
12H-naphtho[1,2-g][1,2]benzoxazine has a molecular weight of 233.27 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-naphtho[1,2-g][1,2]benzoxazine is sourced from PubChem (CID 67117305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).