N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide

C18H17N3O4 — CID 40946921

IUPACN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide
SMILESCCN1C(=O)CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21
InChIInChI=1S/C18H17N3O4/c1-2-20-16-8-7-14(10-12(16)6-9-17(20)22)19-18(23)13-4-3-5-15(11-13)21(24)25/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,19,23)
InChIKeyASHFUIOLNDOVAE-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.15
Rot. Bonds4

About N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide (PubChem CID 40946921) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide
PubChem CID40946921
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide
SMILESCCN1C(=O)CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21
InChIInChI=1S/C18H17N3O4/c1-2-20-16-8-7-14(10-12(16)6-9-17(20)22)19-18(23)13-4-3-5-15(11-13)21(24)25/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,19,23)
InChIKeyASHFUIOLNDOVAE-UHFFFAOYSA-N
XLogP3.15
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
2-chloro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-5-nitrobenzamide
CID 86818262
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methyl-3-nitrobenzamide
CID 16926964
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 86791329
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
CID 71842967
3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 40805087
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide?
The IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide (CID 40946921) is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide is CCN1C(=O)CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide?
The InChIKey is ASHFUIOLNDOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-2-20-16-8-7-14(10-12(16)6-9-17(20)22)19-18(23)13-4-3-5-15(11-13)21(24)25/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,19,23).
What are the key properties of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide?
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide has a molecular weight of 339.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide is sourced from PubChem (CID 40946921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).