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

C14H22Cl2N2O — CID 67280542

IUPAC8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
SMILESCl.Cl.c1cc2c(nc1C1CCCCC1)OCCNC2
InChIInChI=1S/C14H20N2O.2ClH/c1-2-4-11(5-3-1)13-7-6-12-10-15-8-9-17-14(12)16-13;;/h6-7,11,15H,1-5,8-10H2;2*1H
InChIKeyWDZMSRBBBPLRIE-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.45
Rot. Bonds1

About 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride

8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride (PubChem CID 67280542) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride.

Molecular Properties

Compound Name8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
PubChem CID67280542
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
SMILESCl.Cl.c1cc2c(nc1C1CCCCC1)OCCNC2
InChIInChI=1S/C14H20N2O.2ClH/c1-2-4-11(5-3-1)13-7-6-12-10-15-8-9-17-14(12)16-13;;/h6-7,11,15H,1-5,8-10H2;2*1H
InChIKeyWDZMSRBBBPLRIE-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The IUPAC name of 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride (CID 67280542) is 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride.
What is the SMILES notation for 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The canonical SMILES for 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride is Cl.Cl.c1cc2c(nc1C1CCCCC1)OCCNC2.
What is the InChIKey of 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The InChIKey is WDZMSRBBBPLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.2ClH/c1-2-4-11(5-3-1)13-7-6-12-10-15-8-9-17-14(12)16-13;;/h6-7,11,15H,1-5,8-10H2;2*1H.
What are the key properties of 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride is sourced from PubChem (CID 67280542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).