2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide

C18H14ClN3O4 — CID 8716261

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C18H14ClN3O4/c1-11-4-5-12(22(24)25)9-15(11)21-17(23)10-26-16-7-6-14(19)13-3-2-8-20-18(13)16/h2-9H,10H2,1H3,(H,21,23)
InChIKeyXYNUMUMGZHNPOQ-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.12
Rot. Bonds5

About 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide

2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 8716261) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID8716261
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C18H14ClN3O4/c1-11-4-5-12(22(24)25)9-15(11)21-17(23)10-26-16-7-6-14(19)13-3-2-8-20-18(13)16/h2-9H,10H2,1H3,(H,21,23)
InChIKeyXYNUMUMGZHNPOQ-UHFFFAOYSA-N
XLogP4.12
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-(2-chloro-4,6-dimethylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716287
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322
2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7859185
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 17095292
2-(5-chloroquinolin-8-yl)oxy-N-(3,5-dimethoxyphenyl)acetamide
CID 8005978

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide (CID 8716261) is 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is XYNUMUMGZHNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-11-4-5-12(22(24)25)9-15(11)21-17(23)10-26-16-7-6-14(19)13-3-2-8-20-18(13)16/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 371.78 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 8716261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).