N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide

C20H22N4O4 — CID 71908904

IUPACN-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCCc3c2cccc3[N+](=O)[O-])c1
InChIInChI=1S/C20H22N4O4/c1-2-21-20(26)14-6-3-7-15(12-14)22-19(25)13-23-11-5-8-16-17(23)9-4-10-18(16)24(27)28/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,21,26)(H,22,25)
InChIKeyUGTVDTXXYVEMMS-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.74
Rot. Bonds6

About N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide

N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide (PubChem CID 71908904) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
PubChem CID71908904
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCCc3c2cccc3[N+](=O)[O-])c1
InChIInChI=1S/C20H22N4O4/c1-2-21-20(26)14-6-3-7-15(12-14)22-19(25)13-23-11-5-8-16-17(23)9-4-10-18(16)24(27)28/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,21,26)(H,22,25)
InChIKeyUGTVDTXXYVEMMS-UHFFFAOYSA-N
XLogP2.74
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
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-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 51150163
3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
CID 166256523
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 9339677
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54810727
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 9008380
N-[3-(ethylcarbamoyl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17457023
3-acetamido-N-ethylbenzamide
CID 17230670
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16961903
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54810846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide (CID 71908904) is N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CN2CCCc3c2cccc3[N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The InChIKey is UGTVDTXXYVEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-21-20(26)14-6-3-7-15(12-14)22-19(25)13-23-11-5-8-16-17(23)9-4-10-18(16)24(27)28/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 71908904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).