2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide

C25H27N3OS — CID 155780941

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc3c(C)ccnc23)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C25H27N3OS/c1-17-8-13-26-23-19(17)4-3-5-21(23)27-24(29)20-7-6-18(30-2)16-22(20)28-14-11-25(9-10-25)12-15-28/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,27,29)
InChIKeyOAFHYLAIMABOSY-UHFFFAOYSA-N
MW417.58 g/mol
LogP5.90
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide (PubChem CID 155780941) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide
PubChem CID155780941
Molecular FormulaC25H27N3OS
Molecular Weight417.58 g/mol
Exact Mass417.19
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc3c(C)ccnc23)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C25H27N3OS/c1-17-8-13-26-23-19(17)4-3-5-21(23)27-24(29)20-7-6-18(30-2)16-22(20)28-14-11-25(9-10-25)12-15-28/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,27,29)
InChIKeyOAFHYLAIMABOSY-UHFFFAOYSA-N
XLogP5.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide with MolForge

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfanylbenzoyl chloride
CID 170791314
2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
CID 176693975
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 37172830
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
CID 172559550
CID 155780788
CID 155780788
4-methylquinoline-8-carboxylic acid
CID 12597844
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfanylamino]benzamide
CID 147314911
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide
CID 154609106
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2,4-dichloro-N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 139782354

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide (CID 155780941) is 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cccc3c(C)ccnc23)c(N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide?
The InChIKey is OAFHYLAIMABOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-17-8-13-26-23-19(17)4-3-5-21(23)27-24(29)20-7-6-18(30-2)16-22(20)28-14-11-25(9-10-25)12-15-28/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide has a molecular weight of 417.58 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 155780941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).