N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide

C25H28N4O3S — CID 10276613

IUPACN-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)ccc2c1
InChIInChI=1S/C25H28N4O3S/c1-18-7-9-21-19(15-18)8-10-23(26-21)27-24(30)16-28-13-11-25(12-14-28)17-29(33(2,31)32)22-6-4-3-5-20(22)25/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,27,30)
InChIKeyYVKDHIJOWXECOC-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.30
Rot. Bonds4

About N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide

N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide (PubChem CID 10276613) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide
PubChem CID10276613
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)ccc2c1
InChIInChI=1S/C25H28N4O3S/c1-18-7-9-21-19(15-18)8-10-23(26-21)27-24(30)16-28-13-11-25(12-14-28)17-29(33(2,31)32)22-6-4-3-5-20(22)25/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,27,30)
InChIKeyYVKDHIJOWXECOC-UHFFFAOYSA-N
XLogP3.30
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573575
1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481798
1'-(6-chloro-1H-benzimidazol-2-yl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
CID 10070563
1-methylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481807
N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481803
N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005003
N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
CID 10195807
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
N-(4-acetylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;N-[4-(1-hydroxyethyl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 161107271
2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
CID 143433054
2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594297

Frequently Asked Questions

What is the IUPAC name of N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide?
The IUPAC name of N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide (CID 10276613) is N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide.
What is the SMILES notation for N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide?
The canonical SMILES for N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide is Cc1ccc2nc(NC(=O)CN3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)ccc2c1.
What is the InChIKey of N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide?
The InChIKey is YVKDHIJOWXECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18-7-9-21-19(15-18)8-10-23(26-21)27-24(30)16-28-13-11-25(12-14-28)17-29(33(2,31)32)22-6-4-3-5-20(22)25/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,27,30).
What are the key properties of N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide?
N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide has a molecular weight of 464.59 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide is sourced from PubChem (CID 10276613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).