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

C14H17N5O2 — CID 107356568

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
SMILESCCCC(NC(=O)c1cnc2ccccc2n1)/C(N)=N/O
InChIInChI=1S/C14H17N5O2/c1-2-5-11(13(15)19-21)18-14(20)12-8-16-9-6-3-4-7-10(9)17-12/h3-4,6-8,11,21H,2,5H2,1H3,(H2,15,19)(H,18,20)
InChIKeyQNJLVYCRUGMMIO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.27
Rot. Bonds5

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

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide (PubChem CID 107356568) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
PubChem CID107356568
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
SMILESCCCC(NC(=O)c1cnc2ccccc2n1)/C(N)=N/O
InChIInChI=1S/C14H17N5O2/c1-2-5-11(13(15)19-21)18-14(20)12-8-16-9-6-3-4-7-10(9)17-12/h3-4,6-8,11,21H,2,5H2,1H3,(H2,15,19)(H,18,20)
InChIKeyQNJLVYCRUGMMIO-UHFFFAOYSA-N
XLogP1.27
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.27
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-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
CID 107356567
(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-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
CID 77060505
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-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
CID 57100835
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide (CID 107356568) is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide is CCCC(NC(=O)c1cnc2ccccc2n1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is QNJLVYCRUGMMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-5-11(13(15)19-21)18-14(20)12-8-16-9-6-3-4-7-10(9)17-12/h3-4,6-8,11,21H,2,5H2,1H3,(H2,15,19)(H,18,20).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.27, 5 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-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 107356568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).