N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide

C14H15N5O2 — CID 9352105

IUPACN-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C14H15N5O2/c1-9(2)17-13(20)14(21)19-16-8-10-7-15-11-5-3-4-6-12(11)18-10/h3-9H,1-2H3,(H,17,20)(H,19,21)/b16-8-
InChIKeyVNXGRKMYYOYFBW-PXNMLYILSA-N
MW285.31 g/mol
LogP0.60
Rot. Bonds3

About N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide

N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide (PubChem CID 9352105) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
PubChem CID9352105
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C14H15N5O2/c1-9(2)17-13(20)14(21)19-16-8-10-7-15-11-5-3-4-6-12(11)18-10/h3-9H,1-2H3,(H,17,20)(H,19,21)/b16-8-
InChIKeyVNXGRKMYYOYFBW-PXNMLYILSA-N
XLogP0.60
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314
2-methoxy-N-(quinoxalin-2-ylmethylideneamino)benzamide
CID 821630
1-(3-methylbutyl)-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
CID 9241154
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
CID 4984952

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide?
The IUPAC name of N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide (CID 9352105) is N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide is CC(C)NC(=O)C(=O)N/N=C\c1cnc2ccccc2n1.
What is the InChIKey of N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide?
The InChIKey is VNXGRKMYYOYFBW-PXNMLYILSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9(2)17-13(20)14(21)19-16-8-10-7-15-11-5-3-4-6-12(11)18-10/h3-9H,1-2H3,(H,17,20)(H,19,21)/b16-8-.
What are the key properties of N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide?
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide has a molecular weight of 285.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 9352105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).