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

C17H17N3O4 — CID 90640835

IUPACN-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c21-17(19-12-5-7-13(8-6-12)20(22)23)11-24-16-9-10-18-15-4-2-1-3-14(15)16/h5-10H,1-4,11H2,(H,19,21)
InChIKeyHXOBAWSVLSGOIF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.89
Rot. Bonds5

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

N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640835) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640835
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c21-17(19-12-5-7-13(8-6-12)20(22)23)11-24-16-9-10-18-15-4-2-1-3-14(15)16/h5-10H,1-4,11H2,(H,19,21)
InChIKeyHXOBAWSVLSGOIF-UHFFFAOYSA-N
XLogP2.89
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.89
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-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640899
N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641003
N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641021
methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
CID 90640857
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 90640680
[2-(4-nitroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7478232
2-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzamide
CID 90640860
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640746
N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640789

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640835) is N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is O=C(COc1ccnc2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is HXOBAWSVLSGOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-17(19-12-5-7-13(8-6-12)20(22)23)11-24-16-9-10-18-15-4-2-1-3-14(15)16/h5-10H,1-4,11H2,(H,19,21).
What are the key properties of N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).