2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine

C14H20BrN3O — CID 117030541

IUPAC2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
SMILESBrc1ccc2c(c1)N(CCC1CNCCO1)CCN2
InChIInChI=1S/C14H20BrN3O/c15-11-1-2-13-14(9-11)18(7-4-17-13)6-3-12-10-16-5-8-19-12/h1-2,9,12,16-17H,3-8,10H2
InChIKeyVSLQFOSCHODKNY-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.06
Rot. Bonds3

About 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine

2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine (PubChem CID 117030541) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
PubChem CID117030541
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
SMILESBrc1ccc2c(c1)N(CCC1CNCCO1)CCN2
InChIInChI=1S/C14H20BrN3O/c15-11-1-2-13-14(9-11)18(7-4-17-13)6-3-12-10-16-5-8-19-12/h1-2,9,12,16-17H,3-8,10H2
InChIKeyVSLQFOSCHODKNY-UHFFFAOYSA-N
XLogP2.06
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
The IUPAC name of 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine (CID 117030541) is 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine is Brc1ccc2c(c1)N(CCC1CNCCO1)CCN2.
What is the InChIKey of 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
The InChIKey is VSLQFOSCHODKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-11-1-2-13-14(9-11)18(7-4-17-13)6-3-12-10-16-5-8-19-12/h1-2,9,12,16-17H,3-8,10H2.
What are the key properties of 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine has a molecular weight of 326.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine is sourced from PubChem (CID 117030541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).