N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide

C18H14BrN5O2 — CID 53061509

IUPACN-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCc1nnc2c(=O)n(CC(=O)Nc3ccccc3Br)c3ccccc3n12
InChIInChI=1S/C18H14BrN5O2/c1-11-21-22-17-18(26)23(14-8-4-5-9-15(14)24(11)17)10-16(25)20-13-7-3-2-6-12(13)19/h2-9H,10H2,1H3,(H,20,25)
InChIKeyYDSPUONIFUNGNT-UHFFFAOYSA-N
MW412.25 g/mol
LogP2.75
Rot. Bonds3

About N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide

N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (PubChem CID 53061509) has the molecular formula C18H14BrN5O2 and a molecular weight of 412.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
PubChem CID53061509
Molecular FormulaC18H14BrN5O2
Molecular Weight412.25 g/mol
Exact Mass411.03
IUPAC NameN-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCc1nnc2c(=O)n(CC(=O)Nc3ccccc3Br)c3ccccc3n12
InChIInChI=1S/C18H14BrN5O2/c1-11-21-22-17-18(26)23(14-8-4-5-9-15(14)24(11)17)10-16(25)20-13-7-3-2-6-12(13)19/h2-9H,10H2,1H3,(H,20,25)
InChIKeyYDSPUONIFUNGNT-UHFFFAOYSA-N
XLogP2.75
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061514
2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061500
N-(2,6-dimethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061517
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
CID 53061554
N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342718
N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061635
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061542
N-(4-acetamidophenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061666
N-(4-acetamidophenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061599
N-(4-methoxy-2-methylphenyl)-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149214
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (CID 53061509) is N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is Cc1nnc2c(=O)n(CC(=O)Nc3ccccc3Br)c3ccccc3n12.
What is the InChIKey of N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The InChIKey is YDSPUONIFUNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O2/c1-11-21-22-17-18(26)23(14-8-4-5-9-15(14)24(11)17)10-16(25)20-13-7-3-2-6-12(13)19/h2-9H,10H2,1H3,(H,20,25).
What are the key properties of N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide has a molecular weight of 412.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 53061509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).