2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide

C17H25N3O2 — CID 82157244

IUPAC2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(CC)Nc2cc(C)c(C)cc21
InChIInChI=1S/C17H25N3O2/c1-5-7-18-16(21)10-20-15-9-12(4)11(3)8-14(15)19-13(6-2)17(20)22/h8-9,13,19H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyZHGAVTUZMUKRPA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide

2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide (PubChem CID 82157244) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
PubChem CID82157244
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(CC)Nc2cc(C)c(C)cc21
InChIInChI=1S/C17H25N3O2/c1-5-7-18-16(21)10-20-15-9-12(4)11(3)8-14(15)19-13(6-2)17(20)22/h8-9,13,19H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyZHGAVTUZMUKRPA-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide
CID 66067277
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157190
2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2412287
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-(2,4-dimethylphenyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetamide
CID 18085760

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide (CID 82157244) is 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide is CCCNC(=O)CN1C(=O)C(CC)Nc2cc(C)c(C)cc21.
What is the InChIKey of 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
The InChIKey is ZHGAVTUZMUKRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-7-18-16(21)10-20-15-9-12(4)11(3)8-14(15)19-13(6-2)17(20)22/h8-9,13,19H,5-7,10H2,1-4H3,(H,18,21).
What are the key properties of 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide has a molecular weight of 303.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide is sourced from PubChem (CID 82157244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).