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

C13H18BrN3O — CID 117030543

IUPAC2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine
SMILESBrc1ccc2c(c1)N(CC1CNCCO1)CCN2
InChIInChI=1S/C13H18BrN3O/c14-10-1-2-12-13(7-10)17(5-3-16-12)9-11-8-15-4-6-18-11/h1-2,7,11,15-16H,3-6,8-9H2
InChIKeyYYNWRUPKSCMCLI-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.67
Rot. Bonds2

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

2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine (PubChem CID 117030543) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine
PubChem CID117030543
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine
SMILESBrc1ccc2c(c1)N(CC1CNCCO1)CCN2
InChIInChI=1S/C13H18BrN3O/c14-10-1-2-12-13(7-10)17(5-3-16-12)9-11-8-15-4-6-18-11/h1-2,7,11,15-16H,3-6,8-9H2
InChIKeyYYNWRUPKSCMCLI-UHFFFAOYSA-N
XLogP1.67
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
CID 117030541
6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
CID 83515806
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]morpholine
CID 63778262
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine
CID 154784835
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline
CID 117031142
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
CID 117006917
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine?
The IUPAC name of 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine (CID 117030543) is 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine is Brc1ccc2c(c1)N(CC1CNCCO1)CCN2.
What is the InChIKey of 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine?
The InChIKey is YYNWRUPKSCMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-10-1-2-12-13(7-10)17(5-3-16-12)9-11-8-15-4-6-18-11/h1-2,7,11,15-16H,3-6,8-9H2.
What are the key properties of 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine?
2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine has a molecular weight of 312.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine is sourced from PubChem (CID 117030543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).