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

C11H16Cl2N2O — CID 67279430

IUPAC8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
SMILESCl.Cl.c1cc2c(nc1C1CC1)OCCNC2
InChIInChI=1S/C11H14N2O.2ClH/c1-2-8(1)10-4-3-9-7-12-5-6-14-11(9)13-10;;/h3-4,8,12H,1-2,5-7H2;2*1H
InChIKeySPNRYLSEQJIDKX-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.28
Rot. Bonds1

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

8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride (PubChem CID 67279430) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride.

Molecular Properties

Compound Name8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
PubChem CID67279430
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
SMILESCl.Cl.c1cc2c(nc1C1CC1)OCCNC2
InChIInChI=1S/C11H14N2O.2ClH/c1-2-8(1)10-4-3-9-7-12-5-6-14-11(9)13-10;;/h3-4,8,12H,1-2,5-7H2;2*1H
InChIKeySPNRYLSEQJIDKX-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quotane
CID 17714
2-[2-(Dimethylamino)ethyl]-4,8-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
CID 13726629
US10233152, Example 114
CID 129279636
Pyridine, 2-(2-diethylaminoethoxy)-4,6-dimethyl-, hydrochloride
CID 3057785
2H,3H,4H,5H-pyrido[3,2-f][1,4]oxazepine dihydrochloride
CID 67279858
(R)-6-(6-methylpyridin-2-yloxy)-1,4-oxazepane
CID 77059087
8-(4-Fluorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 24857944
8-[4-(Trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 24857947
8-(3-Bromo-2-fluorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697465
8-[3-(Trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697507
8-(3-Chloro-4-fluorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697548
2,3,4,5-Tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697628

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The IUPAC name of 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride (CID 67279430) is 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride.
What is the SMILES notation for 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The canonical SMILES for 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride is Cl.Cl.c1cc2c(nc1C1CC1)OCCNC2.
What is the InChIKey of 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
The InChIKey is SPNRYLSEQJIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.2ClH/c1-2-8(1)10-4-3-9-7-12-5-6-14-11(9)13-10;;/h3-4,8,12H,1-2,5-7H2;2*1H.
What are the key properties of 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride?
8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride is sourced from PubChem (CID 67279430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).