2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide

C17H14N4O2 — CID 6871314

IUPAC2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cnc2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-23-16-9-5-2-6-13(16)17(22)21-19-11-12-10-18-14-7-3-4-8-15(14)20-12/h2-11H,1H3,(H,21,22)/b19-11+
InChIKeyFKPFNMCAEZKING-YBFXNURJSA-N
MW306.33 g/mol
LogP2.40
Rot. Bonds4

About 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide

2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide (PubChem CID 6871314) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
PubChem CID6871314
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cnc2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-23-16-9-5-2-6-13(16)17(22)21-19-11-12-10-18-14-7-3-4-8-15(14)20-12/h2-11H,1H3,(H,21,22)/b19-11+
InChIKeyFKPFNMCAEZKING-YBFXNURJSA-N
XLogP2.40
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(quinoxalin-2-ylmethylideneamino)benzamide
CID 821630
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide (CID 6871314) is 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide is COc1ccccc1C(=O)N/N=C/c1cnc2ccccc2n1.
What is the InChIKey of 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide?
The InChIKey is FKPFNMCAEZKING-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-16-9-5-2-6-13(16)17(22)21-19-11-12-10-18-14-7-3-4-8-15(14)20-12/h2-11H,1H3,(H,21,22)/b19-11+.
What are the key properties of 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide?
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide has a molecular weight of 306.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6871314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).