4-quinoxalin-2-yl-1,4-oxazepane

C13H15N3O — CID 134160732

IUPAC4-quinoxalin-2-yl-1,4-oxazepane
SMILESc1ccc2nc(N3CCCOCC3)cnc2c1
InChIInChI=1S/C13H15N3O/c1-2-5-12-11(4-1)14-10-13(15-12)16-6-3-8-17-9-7-16/h1-2,4-5,10H,3,6-9H2
InChIKeyBXAKGYFJZYPYHQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds1

About 4-quinoxalin-2-yl-1,4-oxazepane

4-quinoxalin-2-yl-1,4-oxazepane (PubChem CID 134160732) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-quinoxalin-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name4-quinoxalin-2-yl-1,4-oxazepane
PubChem CID134160732
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-quinoxalin-2-yl-1,4-oxazepane
SMILESc1ccc2nc(N3CCCOCC3)cnc2c1
InChIInChI=1S/C13H15N3O/c1-2-5-12-11(4-1)14-10-13(15-12)16-6-3-8-17-9-7-16/h1-2,4-5,10H,3,6-9H2
InChIKeyBXAKGYFJZYPYHQ-UHFFFAOYSA-N
XLogP1.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
CID 146046486
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
morpholin-4-yl-(1-quinoxalin-2-ylazetidin-3-yl)methanone
CID 163353090
2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 154883204
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402

Frequently Asked Questions

What is the IUPAC name of 4-quinoxalin-2-yl-1,4-oxazepane?
The IUPAC name of 4-quinoxalin-2-yl-1,4-oxazepane (CID 134160732) is 4-quinoxalin-2-yl-1,4-oxazepane.
What is the SMILES notation for 4-quinoxalin-2-yl-1,4-oxazepane?
The canonical SMILES for 4-quinoxalin-2-yl-1,4-oxazepane is c1ccc2nc(N3CCCOCC3)cnc2c1.
What is the InChIKey of 4-quinoxalin-2-yl-1,4-oxazepane?
The InChIKey is BXAKGYFJZYPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-5-12-11(4-1)14-10-13(15-12)16-6-3-8-17-9-7-16/h1-2,4-5,10H,3,6-9H2.
What are the key properties of 4-quinoxalin-2-yl-1,4-oxazepane?
4-quinoxalin-2-yl-1,4-oxazepane has a molecular weight of 229.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinoxalin-2-yl-1,4-oxazepane is sourced from PubChem (CID 134160732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).