N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide

C21H18N4O2 — CID 136700927

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N/N=C\c2c[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C21H18N4O2/c1-14-10-20(17-7-3-5-9-19(17)24-14)27-13-21(26)25-23-12-15-11-22-18-8-4-2-6-16(15)18/h2-12,22H,13H2,1H3,(H,25,26)/b23-12-
InChIKeyZSZWWOCMZRMUMC-FMCGGJTJSA-N
MW358.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide

N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide (PubChem CID 136700927) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
PubChem CID136700927
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N/N=C\c2c[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C21H18N4O2/c1-14-10-20(17-7-3-5-9-19(17)24-14)27-13-21(26)25-23-12-15-11-22-18-8-4-2-6-16(15)18/h2-12,22H,13H2,1H3,(H,25,26)/b23-12-
InChIKeyZSZWWOCMZRMUMC-FMCGGJTJSA-N
XLogP3.55
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
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

2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-(1H-indol-3-ylmethylideneamino)-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 3296388
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135685347
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 136501552
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide (CID 136700927) is N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide is Cc1cc(OCC(=O)N/N=C\c2c[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is ZSZWWOCMZRMUMC-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-10-20(17-7-3-5-9-19(17)24-14)27-13-21(26)25-23-12-15-11-22-18-8-4-2-6-16(15)18/h2-12,22H,13H2,1H3,(H,25,26)/b23-12-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide?
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 136700927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).