N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C21H20N6O2 — CID 78808719

IUPACN-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H20N6O2/c1-15(16-7-9-17(10-8-16)27-14-22-13-24-27)25(2)21(29)12-26-19-6-4-3-5-18(19)23-11-20(26)28/h3-11,13-15H,12H2,1-2H3
InChIKeyBSENERZTCJDUKX-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 78808719) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID78808719
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H20N6O2/c1-15(16-7-9-17(10-8-16)27-14-22-13-24-27)25(2)21(29)12-26-19-6-4-3-5-18(19)23-11-20(26)28/h3-11,13-15H,12H2,1-2H3
InChIKeyBSENERZTCJDUKX-UHFFFAOYSA-N
XLogP2.20
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide with MolForge

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Related Compounds

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 55462322
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 46587408
2-(2-methoxyphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9470980
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
N-methyl-4-oxo-4-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9471078
N-methyl-2-(4-propan-2-ylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471354
4-(2-ethoxyphenoxy)-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9470954
ethyl 2,5-dimethyl-1-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]pyrrole-3-carboxylate
CID 9471459
2-(2,4-dimethylquinolin-3-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 42888725

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 78808719) is N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is BSENERZTCJDUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-15(16-7-9-17(10-8-16)27-14-22-13-24-27)25(2)21(29)12-26-19-6-4-3-5-18(19)23-11-20(26)28/h3-11,13-15H,12H2,1-2H3.
What are the key properties of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 78808719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).