N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide

C18H16N4O2 — CID 50905835

IUPACN-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccn1
InChIInChI=1S/C18H16N4O2/c1-13(15-8-2-3-10-19-15)21-22-17(23)12-24-16-9-4-6-14-7-5-11-20-18(14)16/h2-11H,12H2,1H3,(H,22,23)/b21-13+
InChIKeyCYBIUBYMTAALAU-FYJGNVAPSA-N
MW320.35 g/mol
LogP2.55
Rot. Bonds5

About N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 50905835) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID50905835
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccn1
InChIInChI=1S/C18H16N4O2/c1-13(15-8-2-3-10-19-15)21-22-17(23)12-24-16-9-4-6-14-7-5-11-20-18(14)16/h2-11H,12H2,1H3,(H,22,23)/b21-13+
InChIKeyCYBIUBYMTAALAU-FYJGNVAPSA-N
XLogP2.55
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide (CID 50905835) is N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide is C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccn1.
What is the InChIKey of N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is CYBIUBYMTAALAU-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13(15-8-2-3-10-19-15)21-22-17(23)12-24-16-9-4-6-14-7-5-11-20-18(14)16/h2-11H,12H2,1H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 320.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pyridin-2-ylethylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 50905835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).