2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide

C19H16ClIN2O4 — CID 24578664

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c(OC)c1
InChIInChI=1S/C19H16ClIN2O4/c1-25-11-5-6-15(16(8-11)26-2)23-17(24)10-27-19-14(21)9-13(20)12-4-3-7-22-18(12)19/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyGPSPSCGSHLXGSB-UHFFFAOYSA-N
MW498.70 g/mol
LogP4.53
Rot. Bonds6

About 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 24578664) has the molecular formula C19H16ClIN2O4 and a molecular weight of 498.70 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID24578664
Molecular FormulaC19H16ClIN2O4
Molecular Weight498.70 g/mol
Exact Mass497.98
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c(OC)c1
InChIInChI=1S/C19H16ClIN2O4/c1-25-11-5-6-15(16(8-11)26-2)23-17(24)10-27-19-14(21)9-13(20)12-4-3-7-22-18(12)19/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyGPSPSCGSHLXGSB-UHFFFAOYSA-N
XLogP4.53
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.70
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275265
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17383276
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
2-(4-chlorophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823034
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide (CID 24578664) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c(OC)c1.
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is GPSPSCGSHLXGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClIN2O4/c1-25-11-5-6-15(16(8-11)26-2)23-17(24)10-27-19-14(21)9-13(20)12-4-3-7-22-18(12)19/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 498.70 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 24578664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).