(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide

C19H18N4O5 — CID 7666370

IUPAC(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
SMILESO=C(/C=N\OCC(=O)N1CCCc2ccccc21)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H18N4O5/c24-18(21-15-7-3-8-16(11-15)23(26)27)12-20-28-13-19(25)22-10-4-6-14-5-1-2-9-17(14)22/h1-3,5,7-9,11-12H,4,6,10,13H2,(H,21,24)/b20-12-
InChIKeyLQXGRJMYWGRSHT-NDENLUEZSA-N
MW382.38 g/mol
LogP2.52
Rot. Bonds6

About (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide

(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide (PubChem CID 7666370) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
PubChem CID7666370
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
SMILESO=C(/C=N\OCC(=O)N1CCCc2ccccc21)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H18N4O5/c24-18(21-15-7-3-8-16(11-15)23(26)27)12-20-28-13-19(25)22-10-4-6-14-5-1-2-9-17(14)22/h1-3,5,7-9,11-12H,4,6,10,13H2,(H,21,24)/b20-12-
InChIKeyLQXGRJMYWGRSHT-NDENLUEZSA-N
XLogP2.52
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666200
1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
CID 6902967
N-(3-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686745
N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666500
N-(3-nitrophenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686640
2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 7666686
N-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 19299979
2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2446276
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7405655
[(4-nitrophenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate
CID 175183794
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 22782112
N-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 19299986

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
The IUPAC name of (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide (CID 7666370) is (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
The canonical SMILES for (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide is O=C(/C=N\OCC(=O)N1CCCc2ccccc21)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
The InChIKey is LQXGRJMYWGRSHT-NDENLUEZSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-18(21-15-7-3-8-16(11-15)23(26)27)12-20-28-13-19(25)22-10-4-6-14-5-1-2-9-17(14)22/h1-3,5,7-9,11-12H,4,6,10,13H2,(H,21,24)/b20-12-.
What are the key properties of (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide has a molecular weight of 382.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 7666370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).