oxazepino[6,7-a]acridine

C16H10N2O — CID 154574061

IUPACoxazepino[6,7-a]acridine
SMILESC1=Cc2c(ccc3nc4ccccc4cc23)ON=C1
InChIInChI=1S/C16H10N2O/c1-2-6-14-11(4-1)10-13-12-5-3-9-17-19-16(12)8-7-15(13)18-14/h1-10H
InChIKeyWDRXBDBJVJIENO-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.78
Rot. Bonds

About oxazepino[6,7-a]acridine

oxazepino[6,7-a]acridine (PubChem CID 154574061) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is oxazepino[6,7-a]acridine.

Molecular Properties

Compound Nameoxazepino[6,7-a]acridine
PubChem CID154574061
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Nameoxazepino[6,7-a]acridine
SMILESC1=Cc2c(ccc3nc4ccccc4cc23)ON=C1
InChIInChI=1S/C16H10N2O/c1-2-6-14-11(4-1)10-13-12-5-3-9-17-19-16(12)8-7-15(13)18-14/h1-10H
InChIKeyWDRXBDBJVJIENO-UHFFFAOYSA-N
XLogP3.78
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 oxazepino[6,7-a]acridine?
The IUPAC name of oxazepino[6,7-a]acridine (CID 154574061) is oxazepino[6,7-a]acridine.
What is the SMILES notation for oxazepino[6,7-a]acridine?
The canonical SMILES for oxazepino[6,7-a]acridine is C1=Cc2c(ccc3nc4ccccc4cc23)ON=C1.
What is the InChIKey of oxazepino[6,7-a]acridine?
The InChIKey is WDRXBDBJVJIENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-2-6-14-11(4-1)10-13-12-5-3-9-17-19-16(12)8-7-15(13)18-14/h1-10H.
What are the key properties of oxazepino[6,7-a]acridine?
oxazepino[6,7-a]acridine has a molecular weight of 246.27 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxazepino[6,7-a]acridine is sourced from PubChem (CID 154574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).