2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide

C19H17N3O2 — CID 6895235

IUPAC2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O2/c1-14-7-9-17(10-8-14)24-13-18(23)22-21-12-16-5-2-4-15-6-3-11-20-19(15)16/h2-12H,13H2,1H3,(H,22,23)/b21-12+
InChIKeyYPEWEXPQGWOGHJ-CIAFOILYSA-N
MW319.36 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide

2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide (PubChem CID 6895235) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
PubChem CID6895235
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O2/c1-14-7-9-17(10-8-14)24-13-18(23)22-21-12-16-5-2-4-15-6-3-11-20-19(15)16/h2-12H,13H2,1H3,(H,22,23)/b21-12+
InChIKeyYPEWEXPQGWOGHJ-CIAFOILYSA-N
XLogP3.07
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide (CID 6895235) is 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide is Cc1ccc(OCC(=O)N/N=C/c2cccc3cccnc23)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The InChIKey is YPEWEXPQGWOGHJ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-7-9-17(10-8-14)24-13-18(23)22-21-12-16-5-2-4-15-6-3-11-20-19(15)16/h2-12H,13H2,1H3,(H,22,23)/b21-12+.
What are the key properties of 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide is sourced from PubChem (CID 6895235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).