N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C18H19N3O4 — CID 90640899

IUPACN-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C18H19N3O4/c1-12-6-7-13(21(23)24)10-16(12)20-18(22)11-25-17-8-9-19-15-5-3-2-4-14(15)17/h6-10H,2-5,11H2,1H3,(H,20,22)
InChIKeyVNNHXVJJPOALHK-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.19
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640899) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640899
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C18H19N3O4/c1-12-6-7-13(21(23)24)10-16(12)20-18(22)11-25-17-8-9-19-15-5-3-2-4-14(15)17/h6-10H,2-5,11H2,1H3,(H,20,22)
InChIKeyVNNHXVJJPOALHK-UHFFFAOYSA-N
XLogP3.19
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.19
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

N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640835
N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7859185
methyl 2-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7763962
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 8716261
N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641021

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640899) is N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccnc2c1CCCC2.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is VNNHXVJJPOALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-6-7-13(21(23)24)10-16(12)20-18(22)11-25-17-8-9-19-15-5-3-2-4-14(15)17/h6-10H,2-5,11H2,1H3,(H,20,22).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 341.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).