2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide

C18H13ClIN3O4 — CID 24578657

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c([N+](=O)[O-])c1
InChIInChI=1S/C18H13ClIN3O4/c1-10-4-5-14(15(7-10)23(25)26)22-16(24)9-27-18-13(20)8-12(19)11-3-2-6-21-17(11)18/h2-8H,9H2,1H3,(H,22,24)
InChIKeyLQTJLRZKIFJHDC-UHFFFAOYSA-N
MW497.68 g/mol
LogP4.73
Rot. Bonds5

About 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 24578657) has the molecular formula C18H13ClIN3O4 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID24578657
Molecular FormulaC18H13ClIN3O4
Molecular Weight497.68 g/mol
Exact Mass496.96
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c([N+](=O)[O-])c1
InChIInChI=1S/C18H13ClIN3O4/c1-10-4-5-14(15(7-10)23(25)26)22-16(24)9-27-18-13(20)8-12(19)11-3-2-6-21-17(11)18/h2-8H,9H2,1H3,(H,22,24)
InChIKeyLQTJLRZKIFJHDC-UHFFFAOYSA-N
XLogP4.73
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17383276
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 24578664
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 8716261
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide (CID 24578657) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is LQTJLRZKIFJHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClIN3O4/c1-10-4-5-14(15(7-10)23(25)26)22-16(24)9-27-18-13(20)8-12(19)11-3-2-6-21-17(11)18/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 497.68 g/mol, XLogP of 4.73, 5 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-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 24578657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).