4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one

C14H12BrN5O2 — CID 175882153

IUPAC4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1nnc2cnc3ccc(Br)cc3n12
InChIInChI=1S/C14H12BrN5O2/c15-9-1-2-10-11(5-9)20-12(6-16-10)17-18-13(20)7-19-3-4-22-8-14(19)21/h1-2,5-6H,3-4,7-8H2
InChIKeyBRYXTJCSZWDPMX-UHFFFAOYSA-N
MW362.19 g/mol
LogP1.40
Rot. Bonds2

About 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one

4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one (PubChem CID 175882153) has the molecular formula C14H12BrN5O2 and a molecular weight of 362.19 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one
PubChem CID175882153
Molecular FormulaC14H12BrN5O2
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1nnc2cnc3ccc(Br)cc3n12
InChIInChI=1S/C14H12BrN5O2/c15-9-1-2-10-11(5-9)20-12(6-16-10)17-18-13(20)7-19-3-4-22-8-14(19)21/h1-2,5-6H,3-4,7-8H2
InChIKeyBRYXTJCSZWDPMX-UHFFFAOYSA-N
XLogP1.40
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one with MolForge

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Related Compounds

8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 142398520
4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
4-[(4-amino-2-bromophenyl)methyl]morpholin-3-one
CID 79469480
4-[3-(4-bromophenoxy)propyl]morpholin-3-one
CID 86698692
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765
7-bromo-1-methylquinoxalin-2-one
CID 12826370
3-[(3-oxomorpholin-4-yl)methyl]benzonitrile
CID 79468539
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
2-[3-[(3-oxomorpholin-4-yl)methyl]anilino]quinazoline-6-carbonitrile
CID 44554784
2-[4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenyl]-2-methylpropanenitrile
CID 66803303
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912

Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one?
The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one (CID 175882153) is 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one is O=C1COCCN1Cc1nnc2cnc3ccc(Br)cc3n12.
What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one?
The InChIKey is BRYXTJCSZWDPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2/c15-9-1-2-10-11(5-9)20-12(6-16-10)17-18-13(20)7-19-3-4-22-8-14(19)21/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one?
4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one has a molecular weight of 362.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one is sourced from PubChem (CID 175882153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).