N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide

C27H32N4O3S — CID 10195807

IUPACN-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
SMILESCCCc1cc(N)c2cc(NC(=O)C3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)ccc2n1
InChIInChI=1S/C27H32N4O3S/c1-3-6-19-16-23(28)21-15-20(9-10-24(21)29-19)30-26(32)18-11-13-27(14-12-18)17-31(35(2,33)34)25-8-5-4-7-22(25)27/h4-5,7-10,15-16,18H,3,6,11-14,17H2,1-2H3,(H2,28,29)(H,30,32)
InChIKeyZGQDJWDJYCRDBG-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.62
Rot. Bonds5

About N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide

N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide (PubChem CID 10195807) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
PubChem CID10195807
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
SMILESCCCc1cc(N)c2cc(NC(=O)C3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)ccc2n1
InChIInChI=1S/C27H32N4O3S/c1-3-6-19-16-23(28)21-15-20(9-10-24(21)29-19)30-26(32)18-11-13-27(14-12-18)17-31(35(2,33)34)25-8-5-4-7-22(25)27/h4-5,7-10,15-16,18H,3,6,11-14,17H2,1-2H3,(H2,28,29)(H,30,32)
InChIKeyZGQDJWDJYCRDBG-UHFFFAOYSA-N
XLogP4.62
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide with MolForge

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Related Compounds

N-(6-methylquinolin-2-yl)-2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)acetamide
CID 10276613
1-methylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481807
N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523463
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
CID 46326852
(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440101
N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005000
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]cyclopropanecarboxamide
CID 110459839

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide (CID 10195807) is N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide is CCCc1cc(N)c2cc(NC(=O)C3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)ccc2n1.
What is the InChIKey of N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
The InChIKey is ZGQDJWDJYCRDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-3-6-19-16-23(28)21-15-20(9-10-24(21)29-19)30-26(32)18-11-13-27(14-12-18)17-31(35(2,33)34)25-8-5-4-7-22(25)27/h4-5,7-10,15-16,18H,3,6,11-14,17H2,1-2H3,(H2,28,29)(H,30,32).
What are the key properties of N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-propylquinolin-6-yl)-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 10195807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).