4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine

C15H17BrN4O — CID 175512014

IUPAC4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
SMILESBrc1ccc2ncc(N3CC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C15H17BrN4O/c16-11-1-2-13-14(7-11)18-15(8-17-13)20-9-12(10-20)19-3-5-21-6-4-19/h1-2,7-8,12H,3-6,9-10H2
InChIKeyDOQPLPYWMKJLEZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP1.91
Rot. Bonds2

About 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine

4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine (PubChem CID 175512014) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
PubChem CID175512014
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
SMILESBrc1ccc2ncc(N3CC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C15H17BrN4O/c16-11-1-2-13-14(7-11)18-15(8-17-13)20-9-12(10-20)19-3-5-21-6-4-19/h1-2,7-8,12H,3-6,9-10H2
InChIKeyDOQPLPYWMKJLEZ-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine (CID 175512014) is 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine is Brc1ccc2ncc(N3CC(N4CCOCC4)C3)nc2c1.
What is the InChIKey of 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine?
The InChIKey is DOQPLPYWMKJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-1-2-13-14(7-11)18-15(8-17-13)20-9-12(10-20)19-3-5-21-6-4-19/h1-2,7-8,12H,3-6,9-10H2.
What are the key properties of 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine?
4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine has a molecular weight of 349.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine is sourced from PubChem (CID 175512014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).