2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide

C16H23N3O2 — CID 82157190

IUPAC2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(C(C)C)Nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-4-9-17-14(20)10-19-13-8-6-5-7-12(13)18-15(11(2)3)16(19)21/h5-8,11,15,18H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyIYBNQVUBTDHNED-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide

2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide (PubChem CID 82157190) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
PubChem CID82157190
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(C(C)C)Nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-4-9-17-14(20)10-19-13-8-6-5-7-12(13)18-15(11(2)3)16(19)21/h5-8,11,15,18H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyIYBNQVUBTDHNED-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157186
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 16568359
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097267
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157156
N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 3224997
N-(4-chlorophenyl)-2-[(3R)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 96564219
N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71829706
2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157244
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
N-(4-ethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156918

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide (CID 82157190) is 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide is CCCNC(=O)CN1C(=O)C(C(C)C)Nc2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
The InChIKey is IYBNQVUBTDHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-17-14(20)10-19-13-8-6-5-7-12(13)18-15(11(2)3)16(19)21/h5-8,11,15,18H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide?
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide has a molecular weight of 289.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide is sourced from PubChem (CID 82157190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).