N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide

C13H19N5O — CID 116513050

IUPACN-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H19N5O/c1-2-3-8-15-13(17-14)18-9-12(19)16-10-6-4-5-7-11(10)18/h4-7H,2-3,8-9,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyPNNDXFLMPNZHPM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.06
Rot. Bonds3

About N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide

N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide (PubChem CID 116513050) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
PubChem CID116513050
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H19N5O/c1-2-3-8-15-13(17-14)18-9-12(19)16-10-6-4-5-7-11(10)18/h4-7H,2-3,8-9,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyPNNDXFLMPNZHPM-UHFFFAOYSA-N
XLogP1.06
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate
CID 8009149
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 43316103
4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 64524021
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55358602
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide (CID 116513050) is N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide is CCCC/N=C(\NN)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
The InChIKey is PNNDXFLMPNZHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-3-8-15-13(17-14)18-9-12(19)16-10-6-4-5-7-11(10)18/h4-7H,2-3,8-9,14H2,1H3,(H,15,17)(H,16,19).
What are the key properties of N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide has a molecular weight of 261.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide is sourced from PubChem (CID 116513050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).