2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide

C13H17N3O2 — CID 2897145

IUPAC2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
SMILESCNC(=O)CC1Nc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C13H17N3O2/c1-7-4-9-10(5-8(7)2)16-13(18)11(15-9)6-12(17)14-3/h4-5,11,15H,6H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyYTRBGYCAVZJKJY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.17
Rot. Bonds2

About 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide

2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide (PubChem CID 2897145) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
PubChem CID2897145
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
SMILESCNC(=O)CC1Nc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C13H17N3O2/c1-7-4-9-10(5-8(7)2)16-13(18)11(15-9)6-12(17)14-3/h4-5,11,15H,6H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyYTRBGYCAVZJKJY-UHFFFAOYSA-N
XLogP1.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide?
The IUPAC name of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide (CID 2897145) is 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide is CNC(=O)CC1Nc2cc(C)c(C)cc2NC1=O.
What is the InChIKey of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide?
The InChIKey is YTRBGYCAVZJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-4-9-10(5-8(7)2)16-13(18)11(15-9)6-12(17)14-3/h4-5,11,15H,6H2,1-3H3,(H,14,17)(H,16,18).
What are the key properties of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide?
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide is sourced from PubChem (CID 2897145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).