3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one

C13H12N4O2 — CID 72940907

IUPAC3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
SMILESCc1nonc1Cn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C13H12N4O2/c1-8-11(16-19-15-8)7-17-12-6-4-3-5-10(12)14-9(2)13(17)18/h3-6H,7H2,1-2H3
InChIKeySIQQZZISAIGBFX-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.44
Rot. Bonds2

About 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one

3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one (PubChem CID 72940907) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
PubChem CID72940907
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
SMILESCc1nonc1Cn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C13H12N4O2/c1-8-11(16-19-15-8)7-17-12-6-4-3-5-10(12)14-9(2)13(17)18/h3-6H,7H2,1-2H3
InChIKeySIQQZZISAIGBFX-UHFFFAOYSA-N
XLogP1.44
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one with MolForge

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Related Compounds

1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 62374387
3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 62374530
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
N,N-dimethyl-5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-sulfonamide
CID 53498937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one (CID 72940907) is 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one is Cc1nonc1Cn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one?
The InChIKey is SIQQZZISAIGBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-11(16-19-15-8)7-17-12-6-4-3-5-10(12)14-9(2)13(17)18/h3-6H,7H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one?
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one is sourced from PubChem (CID 72940907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).