1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one

C16H23N3O2 — CID 118079826

IUPAC1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one
SMILESCC(=O)N1c2ccccc2N(C(=O)CCN(C)C)C[C@@H]1C
InChIInChI=1S/C16H23N3O2/c1-12-11-18(16(21)9-10-17(3)4)14-7-5-6-8-15(14)19(12)13(2)20/h5-8,12H,9-11H2,1-4H3/t12-/m0/s1
InChIKeyLAVGVBVZYAZWGF-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds3

About 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one

1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one (PubChem CID 118079826) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one
PubChem CID118079826
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one
SMILESCC(=O)N1c2ccccc2N(C(=O)CCN(C)C)C[C@@H]1C
InChIInChI=1S/C16H23N3O2/c1-12-11-18(16(21)9-10-17(3)4)14-7-5-6-8-15(14)19(12)13(2)20/h5-8,12H,9-11H2,1-4H3/t12-/m0/s1
InChIKeyLAVGVBVZYAZWGF-LBPRGKRZSA-N
XLogP1.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
CID 118080246
1-[2-methyl-4-(naphthalene-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123485876
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123709048
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
1-[2-methyl-4-(1-methylindole-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123398242
1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
1-(4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 123308015
1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
CID 95785407
1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079098
1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 139393774
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
1-[4-(cyclopropanecarbonyl)-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079567

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one (CID 118079826) is 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one is CC(=O)N1c2ccccc2N(C(=O)CCN(C)C)C[C@@H]1C.
What is the InChIKey of 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one?
The InChIKey is LAVGVBVZYAZWGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-11-18(16(21)9-10-17(3)4)14-7-5-6-8-15(14)19(12)13(2)20/h5-8,12H,9-11H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one?
1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 118079826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).