3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide

C20H25N3O2 — CID 75279124

IUPAC3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)c3cccc(C#N)c3)CCC12
InChIInChI=1S/C20H25N3O2/c1-2-4-14-10-19(24)23-18-11-16(7-8-17(14)18)22-20(25)15-6-3-5-13(9-15)12-21/h3,5-6,9,14,16-18H,2,4,7-8,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUNEWLGHFSNODGH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds4

About 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide

3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (PubChem CID 75279124) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
PubChem CID75279124
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)c3cccc(C#N)c3)CCC12
InChIInChI=1S/C20H25N3O2/c1-2-4-14-10-19(24)23-18-11-16(7-8-17(14)18)22-20(25)15-6-3-5-13(9-15)12-21/h3,5-6,9,14,16-18H,2,4,7-8,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUNEWLGHFSNODGH-UHFFFAOYSA-N
XLogP2.76
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide with MolForge

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Related Compounds

4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
CID 75280128
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 98783757

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (CID 75279124) is 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is CCCC1CC(=O)NC2CC(NC(=O)c3cccc(C#N)c3)CCC12.
What is the InChIKey of 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The InChIKey is UNEWLGHFSNODGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-4-14-10-19(24)23-18-11-16(7-8-17(14)18)22-20(25)15-6-3-5-13(9-15)12-21/h3,5-6,9,14,16-18H,2,4,7-8,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 75279124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).