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

C18H14ClN3O2 — CID 6897199

IUPAC2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1cccc2cccnc12
InChIInChI=1S/C18H14ClN3O2/c19-15-6-8-16(9-7-15)24-12-17(23)22-21-11-14-4-1-3-13-5-2-10-20-18(13)14/h1-11H,12H2,(H,22,23)/b21-11+
InChIKeyDQOCSGNZPMUZQC-SRZZPIQSSA-N
MW339.78 g/mol
LogP3.42
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide (PubChem CID 6897199) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
PubChem CID6897199
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1cccc2cccnc12
InChIInChI=1S/C18H14ClN3O2/c19-15-6-8-16(9-7-15)24-12-17(23)22-21-11-14-4-1-3-13-5-2-10-20-18(13)14/h1-11H,12H2,(H,22,23)/b21-11+
InChIKeyDQOCSGNZPMUZQC-SRZZPIQSSA-N
XLogP3.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.42
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'}

Analyze 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
CID 4066919
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
CID 3509073
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide (CID 6897199) is 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc2cccnc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
The InChIKey is DQOCSGNZPMUZQC-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-6-8-16(9-7-15)24-12-17(23)22-21-11-14-4-1-3-13-5-2-10-20-18(13)14/h1-11H,12H2,(H,22,23)/b21-11+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide has a molecular weight of 339.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide is sourced from PubChem (CID 6897199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).