8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

C14H14ClN3O — CID 86648981

IUPAC8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESClc1cnc2c(n1)OCCN(Cc1ccccc1)C2
InChIInChI=1S/C14H14ClN3O/c15-13-8-16-12-10-18(6-7-19-14(12)17-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2
InChIKeyHQDSUUPDTKNKJG-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.52
Rot. Bonds2

About 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (PubChem CID 86648981) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
PubChem CID86648981
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESClc1cnc2c(n1)OCCN(Cc1ccccc1)C2
InChIInChI=1S/C14H14ClN3O/c15-13-8-16-12-10-18(6-7-19-14(12)17-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2
InChIKeyHQDSUUPDTKNKJG-UHFFFAOYSA-N
XLogP2.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The IUPAC name of 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (CID 86648981) is 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.
What is the SMILES notation for 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The canonical SMILES for 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is Clc1cnc2c(n1)OCCN(Cc1ccccc1)C2.
What is the InChIKey of 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The InChIKey is HQDSUUPDTKNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-8-16-12-10-18(6-7-19-14(12)17-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2.
What are the key properties of 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine has a molecular weight of 275.74 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-chloro-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is sourced from PubChem (CID 86648981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).