9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine

C12H9ClN2O — CID 59643997

IUPAC9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine
SMILESClc1ccc2c(c1)Nc1ncccc1OC2
InChIInChI=1S/C12H9ClN2O/c13-9-4-3-8-7-16-11-2-1-5-14-12(11)15-10(8)6-9/h1-6H,7H2,(H,14,15)
InChIKeyOVHUGKZKNBBUSP-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.37
Rot. Bonds

About 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine

9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine (PubChem CID 59643997) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine
PubChem CID59643997
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine
SMILESClc1ccc2c(c1)Nc1ncccc1OC2
InChIInChI=1S/C12H9ClN2O/c13-9-4-3-8-7-16-11-2-1-5-14-12(11)15-10(8)6-9/h1-6H,7H2,(H,14,15)
InChIKeyOVHUGKZKNBBUSP-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine?
The IUPAC name of 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine (CID 59643997) is 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine is Clc1ccc2c(c1)Nc1ncccc1OC2.
What is the InChIKey of 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine?
The InChIKey is OVHUGKZKNBBUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-4-3-8-7-16-11-2-1-5-14-12(11)15-10(8)6-9/h1-6H,7H2,(H,14,15).
What are the key properties of 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine?
9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine has a molecular weight of 232.67 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6,11-dihydropyrido[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59643997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).