4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one

C14H19N3O2 — CID 28822275

IUPAC4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
SMILESNCCCCCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H19N3O2/c15-9-5-1-2-8-14(19)17-10-13(18)16-11-6-3-4-7-12(11)17/h3-4,6-7H,1-2,5,8-10,15H2,(H,16,18)
InChIKeyGWCRJJQOSDKPOS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds5

About 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one

4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 28822275) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID28822275
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
SMILESNCCCCCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H19N3O2/c15-9-5-1-2-8-14(19)17-10-13(18)16-11-6-3-4-7-12(11)17/h3-4,6-7H,1-2,5,8-10,15H2,(H,16,18)
InChIKeyGWCRJJQOSDKPOS-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119663727
4-(4-phenylsulfanylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 16863999
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione;hydrochloride
CID 119633446
N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
CID 120886014
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one (CID 28822275) is 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one is NCCCCCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is GWCRJJQOSDKPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-9-5-1-2-8-14(19)17-10-13(18)16-11-6-3-4-7-12(11)17/h3-4,6-7H,1-2,5,8-10,15H2,(H,16,18).
What are the key properties of 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one?
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 28822275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).