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

C18H16N4O — CID 9234354

IUPAC4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESCCc1ccc(C(=O)N/N=C\c2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H16N4O/c1-2-13-7-9-14(10-8-13)18(23)22-20-12-15-11-19-16-5-3-4-6-17(16)21-15/h3-12H,2H2,1H3,(H,22,23)/b20-12-
InChIKeyORZZMYRPEJTVCZ-NDENLUEZSA-N
MW304.35 g/mol
LogP2.96
Rot. Bonds4

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

4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide (PubChem CID 9234354) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
PubChem CID9234354
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
SMILESCCc1ccc(C(=O)N/N=C\c2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H16N4O/c1-2-13-7-9-14(10-8-13)18(23)22-20-12-15-11-19-16-5-3-4-6-17(16)21-15/h3-12H,2H2,1H3,(H,22,23)/b20-12-
InChIKeyORZZMYRPEJTVCZ-NDENLUEZSA-N
XLogP2.96
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
CID 3363664
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide (CID 9234354) is 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is CCc1ccc(C(=O)N/N=C\c2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
The InChIKey is ORZZMYRPEJTVCZ-NDENLUEZSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-13-7-9-14(10-8-13)18(23)22-20-12-15-11-19-16-5-3-4-6-17(16)21-15/h3-12H,2H2,1H3,(H,22,23)/b20-12-.
What are the key properties of 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide?
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 9234354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).