2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline

C24H27N3O2S — CID 92886998

IUPAC2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(N4c5ccccc5C[C@H]4C)ccc3c2)CC1
InChIInChI=1S/C24H27N3O2S/c1-17-11-13-26(14-12-17)30(28,29)21-8-9-22-19(16-21)7-10-24(25-22)27-18(2)15-20-5-3-4-6-23(20)27/h3-10,16-18H,11-15H2,1-2H3/t18-/m1/s1
InChIKeyGAILTPXXHLUEOW-GOSISDBHSA-N
MW421.57 g/mol
LogP4.74
Rot. Bonds3

About 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline

2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline (PubChem CID 92886998) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
PubChem CID92886998
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(N4c5ccccc5C[C@H]4C)ccc3c2)CC1
InChIInChI=1S/C24H27N3O2S/c1-17-11-13-26(14-12-17)30(28,29)21-8-9-22-19(16-21)7-10-24(25-22)27-18(2)15-20-5-3-4-6-23(20)27/h3-10,16-18H,11-15H2,1-2H3/t18-/m1/s1
InChIKeyGAILTPXXHLUEOW-GOSISDBHSA-N
XLogP4.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
CID 92745933
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92887015
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
ethyl (3S)-1-[6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]piperidine-3-carboxylate
CID 92886996
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 50760442
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759655
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 42979614
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline (CID 92886998) is 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline is CC1CCN(S(=O)(=O)c2ccc3nc(N4c5ccccc5C[C@H]4C)ccc3c2)CC1.
What is the InChIKey of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline?
The InChIKey is GAILTPXXHLUEOW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-11-13-26(14-12-17)30(28,29)21-8-9-22-19(16-21)7-10-24(25-22)27-18(2)15-20-5-3-4-6-23(20)27/h3-10,16-18H,11-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline?
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline has a molecular weight of 421.57 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 92886998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).