N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide

C20H21N5O — CID 9040004

IUPACN-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide
SMILESCc1cc(C)c(NCC(=O)N/N=C\c2cnc3ccccc3n2)c(C)c1
InChIInChI=1S/C20H21N5O/c1-13-8-14(2)20(15(3)9-13)22-12-19(26)25-23-11-16-10-21-17-6-4-5-7-18(17)24-16/h4-11,22H,12H2,1-3H3,(H,25,26)/b23-11-
InChIKeyNXRIBYOBWABTMG-KSEXSDGBSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds5

About N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide

N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide (PubChem CID 9040004) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide
PubChem CID9040004
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide
SMILESCc1cc(C)c(NCC(=O)N/N=C\c2cnc3ccccc3n2)c(C)c1
InChIInChI=1S/C20H21N5O/c1-13-8-14(2)20(15(3)9-13)22-12-19(26)25-23-11-16-10-21-17-6-4-5-7-18(17)24-16/h4-11,22H,12H2,1-3H3,(H,25,26)/b23-11-
InChIKeyNXRIBYOBWABTMG-KSEXSDGBSA-N
XLogP3.12
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
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

4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9218208
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9217295
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
2-(benzotriazol-1-yl)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 8978650
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide?
The IUPAC name of N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide (CID 9040004) is N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide.
What is the SMILES notation for N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide?
The canonical SMILES for N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide is Cc1cc(C)c(NCC(=O)N/N=C\c2cnc3ccccc3n2)c(C)c1.
What is the InChIKey of N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide?
The InChIKey is NXRIBYOBWABTMG-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-8-14(2)20(15(3)9-13)22-12-19(26)25-23-11-16-10-21-17-6-4-5-7-18(17)24-16/h4-11,22H,12H2,1-3H3,(H,25,26)/b23-11-.
What are the key properties of N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide?
N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-quinoxalin-2-ylmethylideneamino]-2-(2,4,6-trimethylanilino)acetamide is sourced from PubChem (CID 9040004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).