4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine

C14H20BrN3O — CID 117006917

IUPAC4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
SMILESBrc1ccc2c(c1)NCCN2CCN1CCOCC1
InChIInChI=1S/C14H20BrN3O/c15-12-1-2-14-13(11-12)16-3-4-18(14)6-5-17-7-9-19-10-8-17/h1-2,11,16H,3-10H2
InChIKeyACBSXSVKYXSKRJ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.01
Rot. Bonds3

About 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine

4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine (PubChem CID 117006917) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
PubChem CID117006917
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
SMILESBrc1ccc2c(c1)NCCN2CCN1CCOCC1
InChIInChI=1S/C14H20BrN3O/c15-12-1-2-14-13(11-12)16-3-4-18(14)6-5-17-7-9-19-10-8-17/h1-2,11,16H,3-10H2
InChIKeyACBSXSVKYXSKRJ-UHFFFAOYSA-N
XLogP2.01
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
CID 117031082
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 117031103
6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
CID 83515806
2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
CID 117030541
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine
CID 82250940
4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
CID 28796776
6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807044
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
7-bromo-1-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82247303
3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073514
2-[(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)methyl]morpholine
CID 117030543

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine (CID 117006917) is 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine is Brc1ccc2c(c1)NCCN2CCN1CCOCC1.
What is the InChIKey of 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
The InChIKey is ACBSXSVKYXSKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-12-1-2-14-13(11-12)16-3-4-18(14)6-5-17-7-9-19-10-8-17/h1-2,11,16H,3-10H2.
What are the key properties of 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine?
4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine has a molecular weight of 326.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine is sourced from PubChem (CID 117006917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).