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

C31H24ClN3O3 — CID 6883884

IUPAC2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1
InChIInChI=1S/C31H24ClN3O3/c1-37-25-12-7-21(8-13-25)19-33-35-31(36)20-38-26-14-9-23(10-15-26)30-18-27(22-5-3-2-4-6-22)28-17-24(32)11-16-29(28)34-30/h2-19H,20H2,1H3,(H,35,36)/b33-19+
InChIKeyCZFDMOJTGRSWDA-HNSNBQBZSA-N
MW522.00 g/mol
LogP6.76
Rot. Bonds8

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

2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6883884) has the molecular formula C31H24ClN3O3 and a molecular weight of 522.00 g/mol. Its IUPAC name is 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID6883884
Molecular FormulaC31H24ClN3O3
Molecular Weight522.00 g/mol
Exact Mass521.15
IUPAC Name2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1
InChIInChI=1S/C31H24ClN3O3/c1-37-25-12-7-21(8-13-25)19-33-35-31(36)20-38-26-14-9-23(10-15-26)30-18-27(22-5-3-2-4-6-22)28-17-24(32)11-16-29(28)34-30/h2-19H,20H2,1H3,(H,35,36)/b33-19+
InChIKeyCZFDMOJTGRSWDA-HNSNBQBZSA-N
XLogP6.76
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.00
LogP ≤ 56.76
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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Related Compounds

2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 75361373
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 6248355
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-chloro-7-ethoxyquinolin-3-yl)methylideneamino]acetamide
CID 6138931
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-(hexylideneamino)acetamide
CID 3701073
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 6883884) is 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1.
What is the InChIKey of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is CZFDMOJTGRSWDA-HNSNBQBZSA-N. The full InChI is InChI=1S/C31H24ClN3O3/c1-37-25-12-7-21(8-13-25)19-33-35-31(36)20-38-26-14-9-23(10-15-26)30-18-27(22-5-3-2-4-6-22)28-17-24(32)11-16-29(28)34-30/h2-19H,20H2,1H3,(H,35,36)/b33-19+.
What are the key properties of 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 522.00 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6883884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).