4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide

C16H13N5O — CID 9034461

IUPAC4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H13N5O/c17-12-7-5-11(6-8-12)16(22)21-19-10-13-9-18-14-3-1-2-4-15(14)20-13/h1-10H,17H2,(H,21,22)/b19-10-
InChIKeyKYFZJSYOHBBLLJ-GRSHGNNSSA-N
MW291.31 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide

4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide (PubChem CID 9034461) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
PubChem CID9034461
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H13N5O/c17-12-7-5-11(6-8-12)16(22)21-19-10-13-9-18-14-3-1-2-4-15(14)20-13/h1-10H,17H2,(H,21,22)/b19-10-
InChIKeyKYFZJSYOHBBLLJ-GRSHGNNSSA-N
XLogP1.98
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
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
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
CID 3363664
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-bromo-N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 8983406

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide (CID 9034461) is 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The InChIKey is KYFZJSYOHBBLLJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H13N5O/c17-12-7-5-11(6-8-12)16(22)21-19-10-13-9-18-14-3-1-2-4-15(14)20-13/h1-10H,17H2,(H,21,22)/b19-10-.
What are the key properties of 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide has a molecular weight of 291.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 9034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).