N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide

C13H15N5O2 — CID 107356567

IUPACN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
SMILESCCC(NC(=O)c1cnc2ccccc2n1)/C(N)=N/O
InChIInChI=1S/C13H15N5O2/c1-2-8(12(14)18-20)17-13(19)11-7-15-9-5-3-4-6-10(9)16-11/h3-8,20H,2H2,1H3,(H2,14,18)(H,17,19)
InChIKeyXBBXXOSZKCEVBA-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.88
Rot. Bonds4

About N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide (PubChem CID 107356567) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
PubChem CID107356567
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
SMILESCCC(NC(=O)c1cnc2ccccc2n1)/C(N)=N/O
InChIInChI=1S/C13H15N5O2/c1-2-8(12(14)18-20)17-13(19)11-7-15-9-5-3-4-6-10(9)16-11/h3-8,20H,2H2,1H3,(H2,14,18)(H,17,19)
InChIKeyXBBXXOSZKCEVBA-UHFFFAOYSA-N
XLogP0.88
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
CID 107356576
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide (CID 107356567) is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide is CCC(NC(=O)c1cnc2ccccc2n1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is XBBXXOSZKCEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-8(12(14)18-20)17-13(19)11-7-15-9-5-3-4-6-10(9)16-11/h3-8,20H,2H2,1H3,(H2,14,18)(H,17,19).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 107356567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).