2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride

C8H12Cl2N2O — CID 67279858

IUPAC2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)CNCCO2
InChIInChI=1S/C8H10N2O.2ClH/c1-2-7-6-9-4-5-11-8(7)10-3-1;;/h1-3,9H,4-6H2;2*1H
InChIKeyJZSSQVLDWJVGRT-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.41
Rot. Bonds

About 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride

2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride (PubChem CID 67279858) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
PubChem CID67279858
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Name2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)CNCCO2
InChIInChI=1S/C8H10N2O.2ClH/c1-2-7-6-9-4-5-11-8(7)10-3-1;;/h1-3,9H,4-6H2;2*1H
InChIKeyJZSSQVLDWJVGRT-UHFFFAOYSA-N
XLogP1.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The IUPAC name of 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride (CID 67279858) is 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride.
What is the SMILES notation for 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The canonical SMILES for 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride is Cl.Cl.c1cnc2c(c1)CNCCO2.
What is the InChIKey of 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The InChIKey is JZSSQVLDWJVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.2ClH/c1-2-7-6-9-4-5-11-8(7)10-3-1;;/h1-3,9H,4-6H2;2*1H.
What are the key properties of 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride has a molecular weight of 223.10 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride is sourced from PubChem (CID 67279858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).