N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide

C15H22N4O2 — CID 77005820

IUPACN'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCN(C)c2ccccc21)C(N)=NO
InChIInChI=1S/C15H22N4O2/c1-10(2)13(14(16)17-21)15(20)19-9-8-18(3)11-6-4-5-7-12(11)19/h4-7,10,13,21H,8-9H2,1-3H3,(H2,16,17)
InChIKeyQUBHOBBHEXRJHI-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.49
Rot. Bonds3

About N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide

N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide (PubChem CID 77005820) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide
PubChem CID77005820
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCN(C)c2ccccc21)C(N)=NO
InChIInChI=1S/C15H22N4O2/c1-10(2)13(14(16)17-21)15(20)19-9-8-18(3)11-6-4-5-7-12(11)19/h4-7,10,13,21H,8-9H2,1-3H3,(H2,16,17)
InChIKeyQUBHOBBHEXRJHI-UHFFFAOYSA-N
XLogP1.49
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide (CID 77005820) is N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide is CC(C)C(C(=O)N1CCN(C)c2ccccc21)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide?
The InChIKey is QUBHOBBHEXRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)13(14(16)17-21)15(20)19-9-8-18(3)11-6-4-5-7-12(11)19/h4-7,10,13,21H,8-9H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide?
N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide has a molecular weight of 290.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide is sourced from PubChem (CID 77005820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).