4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one

C14H19N3O2 — CID 79810105

IUPAC4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(N)(CC)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-14(15,4-2)13(19)17-9-12(18)16-10-7-5-6-8-11(10)17/h5-8H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyBSKYQEGUVGFSHM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds3

About 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one

4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79810105) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79810105
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(N)(CC)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-14(15,4-2)13(19)17-9-12(18)16-10-7-5-6-8-11(10)17/h5-8H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyBSKYQEGUVGFSHM-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63127785
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
CID 107471092
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63138879

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one (CID 79810105) is 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one is CCC(N)(CC)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is BSKYQEGUVGFSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-14(15,4-2)13(19)17-9-12(18)16-10-7-5-6-8-11(10)17/h5-8H,3-4,9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one?
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79810105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).