2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide

C18H15N3O2 — CID 6897174

IUPAC2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1)N/N=C/c1cccc2cccnc12
InChIInChI=1S/C18H15N3O2/c22-17(13-23-16-9-2-1-3-10-16)21-20-12-15-7-4-6-14-8-5-11-19-18(14)15/h1-12H,13H2,(H,21,22)/b20-12+
InChIKeySARWOZAMWPSTJM-UDWIEESQSA-N
MW305.34 g/mol
LogP2.76
Rot. Bonds5

About 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide

2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide (PubChem CID 6897174) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
PubChem CID6897174
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1)N/N=C/c1cccc2cccnc12
InChIInChI=1S/C18H15N3O2/c22-17(13-23-16-9-2-1-3-10-16)21-20-12-15-7-4-6-14-8-5-11-19-18(14)15/h1-12H,13H2,(H,21,22)/b20-12+
InChIKeySARWOZAMWPSTJM-UDWIEESQSA-N
XLogP2.76
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.76
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

US10155760, Example 74
CID 91938067
2-(4-fluorophenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895257
2-(Quinolin-8-yloxy)acetamide
CID 753651
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 5340170
2-(4-methylphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895235
2-(4-methoxyphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 6898614
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
2-(2-phenylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 9556721
2-(2-phenylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 9612783
(E)-N'-(2-hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide
CID 135627845
N'-(acridin-9-yl)-2-(4-methylphenoxy)acetohydrazide
CID 3632302
2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915926

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The IUPAC name of 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide (CID 6897174) is 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The canonical SMILES for 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide is O=C(COc1ccccc1)N/N=C/c1cccc2cccnc12.
What is the InChIKey of 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The InChIKey is SARWOZAMWPSTJM-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(13-23-16-9-2-1-3-10-16)21-20-12-15-7-4-6-14-8-5-11-19-18(14)15/h1-12H,13H2,(H,21,22)/b20-12+.
What are the key properties of 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide has a molecular weight of 305.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(E)-quinolin-8-ylmethylideneamino]acetamide is sourced from PubChem (CID 6897174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).