2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide

C32H26ClN3O4 — CID 75361373

IUPAC2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c(OC)c1
InChIInChI=1S/C32H26ClN3O4/c1-38-26-14-10-23(31(17-26)39-2)19-34-36-32(37)20-40-25-12-8-22(9-13-25)30-18-27(21-6-4-3-5-7-21)28-16-24(33)11-15-29(28)35-30/h3-19H,20H2,1-2H3,(H,36,37)/b34-19+
InChIKeyZTLXNPJPXXXHCO-ALQBTCKLSA-N
MW552.03 g/mol
LogP6.77
Rot. Bonds9

About 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide

2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 75361373) has the molecular formula C32H26ClN3O4 and a molecular weight of 552.03 g/mol. Its IUPAC name is 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID75361373
Molecular FormulaC32H26ClN3O4
Molecular Weight552.03 g/mol
Exact Mass551.16
IUPAC Name2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c(OC)c1
InChIInChI=1S/C32H26ClN3O4/c1-38-26-14-10-23(31(17-26)39-2)19-34-36-32(37)20-40-25-12-8-22(9-13-25)30-18-27(21-6-4-3-5-7-21)28-16-24(33)11-15-29(28)35-30/h3-19H,20H2,1-2H3,(H,36,37)/b34-19+
InChIKeyZTLXNPJPXXXHCO-ALQBTCKLSA-N
XLogP6.77
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.03
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]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-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6883884
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 6248355
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-chloro-7-ethoxyquinolin-3-yl)methylideneamino]acetamide
CID 6138931
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6027022
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
CID 23856286
[2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 1243771
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 19194303
2-(2-benzylphenoxy)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 9359690

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide (CID 75361373) is 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c(OC)c1.
What is the InChIKey of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZTLXNPJPXXXHCO-ALQBTCKLSA-N. The full InChI is InChI=1S/C32H26ClN3O4/c1-38-26-14-10-23(31(17-26)39-2)19-34-36-32(37)20-40-25-12-8-22(9-13-25)30-18-27(21-6-4-3-5-7-21)28-16-24(33)11-15-29(28)35-30/h3-19H,20H2,1-2H3,(H,36,37)/b34-19+.
What are the key properties of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 552.03 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 75361373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).