N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide

C23H26N4O2 — CID 16837423

IUPACN'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccccc3C#N)ccc21
InChIInChI=1S/C23H26N4O2/c1-2-13-27-14-5-7-18-15-17(9-10-21(18)27)11-12-25-22(28)23(29)26-20-8-4-3-6-19(20)16-24/h3-4,6,8-10,15H,2,5,7,11-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyXXOPRXGMURQFPM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.02
Rot. Bonds6

About N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide

N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (PubChem CID 16837423) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
PubChem CID16837423
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccccc3C#N)ccc21
InChIInChI=1S/C23H26N4O2/c1-2-13-27-14-5-7-18-15-17(9-10-21(18)27)11-12-25-22(28)23(29)26-20-8-4-3-6-19(20)16-24/h3-4,6,8-10,15H,2,5,7,11-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyXXOPRXGMURQFPM-UHFFFAOYSA-N
XLogP3.02
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1,2-oxazol-3-yl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837421
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 16837383
N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16837431
N'-(2-chlorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837382
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 42065366
2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837170
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379546
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (CID 16837423) is N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccccc3C#N)ccc21.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is XXOPRXGMURQFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-13-27-14-5-7-18-15-17(9-10-21(18)27)11-12-25-22(28)23(29)26-20-8-4-3-6-19(20)16-24/h3-4,6,8-10,15H,2,5,7,11-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 390.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 16837423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).