4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one

C16H23N3O2 — CID 107471092

IUPAC4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)(C)CC(CN)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-16(2,3)8-11(9-17)15(21)19-10-14(20)18-12-6-4-5-7-13(12)19/h4-7,11H,8-10,17H2,1-3H3,(H,18,20)
InChIKeyOVFZDJGVEXXTMI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds3

About 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one

4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 107471092) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID107471092
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)(C)CC(CN)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-16(2,3)8-11(9-17)15(21)19-10-14(20)18-12-6-4-5-7-13(12)19/h4-7,11H,8-10,17H2,1-3H3,(H,18,20)
InChIKeyOVFZDJGVEXXTMI-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one (CID 107471092) is 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one is CC(C)(C)CC(CN)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is OVFZDJGVEXXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)8-11(9-17)15(21)19-10-14(20)18-12-6-4-5-7-13(12)19/h4-7,11H,8-10,17H2,1-3H3,(H,18,20).
What are the key properties of 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 107471092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).