8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine

C16H15ClN4O — CID 56964693

IUPAC8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine
SMILESClc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2
InChIInChI=1S/C16H15ClN4O/c17-11-3-4-14-13(10-11)20-15(21-8-6-18-7-9-21)12-2-1-5-19-16(12)22-14/h1-5,10,18H,6-9H2
InChIKeyZCSQZBVTVLZRJN-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.82
Rot. Bonds

About 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine

8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine (PubChem CID 56964693) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine.

Molecular Properties

Compound Name8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine
PubChem CID56964693
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine
SMILESClc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2
InChIInChI=1S/C16H15ClN4O/c17-11-3-4-14-13(10-11)20-15(21-8-6-18-7-9-21)12-2-1-5-19-16(12)22-14/h1-5,10,18H,6-9H2
InChIKeyZCSQZBVTVLZRJN-UHFFFAOYSA-N
XLogP2.82
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine?
The IUPAC name of 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine (CID 56964693) is 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine.
What is the SMILES notation for 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine?
The canonical SMILES for 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine is Clc1ccc2c(c1)N=C(N1CCNCC1)c1cccnc1O2.
What is the InChIKey of 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine?
The InChIKey is ZCSQZBVTVLZRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-11-3-4-14-13(10-11)20-15(21-8-6-18-7-9-21)12-2-1-5-19-16(12)22-14/h1-5,10,18H,6-9H2.
What are the key properties of 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine?
8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine has a molecular weight of 314.78 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine is sourced from PubChem (CID 56964693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).