N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide

C17H15N3O3 — CID 50905836

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1ccco1
InChIInChI=1S/C17H15N3O3/c1-12(14-8-4-10-22-14)19-20-16(21)11-23-15-7-2-5-13-6-3-9-18-17(13)15/h2-10H,11H2,1H3,(H,20,21)/b19-12+
InChIKeyJWTZJRLVTIFHGX-XDHOZWIPSA-N
MW309.33 g/mol
LogP2.75
Rot. Bonds5

About N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 50905836) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID50905836
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1ccco1
InChIInChI=1S/C17H15N3O3/c1-12(14-8-4-10-22-14)19-20-16(21)11-23-15-7-2-5-13-6-3-9-18-17(13)15/h2-10H,11H2,1H3,(H,20,21)/b19-12+
InChIKeyJWTZJRLVTIFHGX-XDHOZWIPSA-N
XLogP2.75
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.75
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

N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5419184
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
CID 71320066
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6248098
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide (CID 50905836) is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide is C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is JWTZJRLVTIFHGX-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12(14-8-4-10-22-14)19-20-16(21)11-23-15-7-2-5-13-6-3-9-18-17(13)15/h2-10H,11H2,1H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 309.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 50905836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).