3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine

C16H18N2O2 — CID 21359108

IUPAC3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine
SMILESCN1COc2c(ccc3c4c(ccc23)OCN(C)C4)C1
InChIInChI=1S/C16H18N2O2/c1-17-7-11-3-4-12-13(16(11)20-10-17)5-6-15-14(12)8-18(2)9-19-15/h3-6H,7-10H2,1-2H3
InChIKeyJFEAHZQYXWLMCU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.40
Rot. Bonds

About 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine

3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine (PubChem CID 21359108) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine.

Molecular Properties

Compound Name3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine
PubChem CID21359108
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine
SMILESCN1COc2c(ccc3c4c(ccc23)OCN(C)C4)C1
InChIInChI=1S/C16H18N2O2/c1-17-7-11-3-4-12-13(16(11)20-10-17)5-6-15-14(12)8-18(2)9-19-15/h3-6H,7-10H2,1-2H3
InChIKeyJFEAHZQYXWLMCU-UHFFFAOYSA-N
XLogP2.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10666657
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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine?
The IUPAC name of 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine (CID 21359108) is 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine.
What is the SMILES notation for 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine?
The canonical SMILES for 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine is CN1COc2c(ccc3c4c(ccc23)OCN(C)C4)C1.
What is the InChIKey of 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine?
The InChIKey is JFEAHZQYXWLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-7-11-3-4-12-13(16(11)20-10-17)5-6-15-14(12)8-18(2)9-19-15/h3-6H,7-10H2,1-2H3.
What are the key properties of 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine?
3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine has a molecular weight of 270.33 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]benzoxazino[7,8-f][1,3]benzoxazine is sourced from PubChem (CID 21359108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).