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

C23H25N3O2S — CID 92887015

IUPAC2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCc4ccccc43)ccc2c1
InChIInChI=1S/C23H25N3O2S/c1-17-6-4-5-14-26(17)29(27,28)20-10-11-21-19(16-20)9-12-23(24-21)25-15-13-18-7-2-3-8-22(18)25/h2-3,7-12,16-17H,4-6,13-15H2,1H3/t17-/m1/s1
InChIKeyAUQURLKMUMJYRR-QGZVFWFLSA-N
MW407.54 g/mol
LogP4.49
Rot. Bonds3

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

2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline (PubChem CID 92887015) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
PubChem CID92887015
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCc4ccccc43)ccc2c1
InChIInChI=1S/C23H25N3O2S/c1-17-6-4-5-14-26(17)29(27,28)20-10-11-21-19(16-20)9-12-23(24-21)25-15-13-18-7-2-3-8-22(18)25/h2-3,7-12,16-17H,4-6,13-15H2,1H3/t17-/m1/s1
InChIKeyAUQURLKMUMJYRR-QGZVFWFLSA-N
XLogP4.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline with MolForge

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 50760442
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
CID 92886998
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 93058972
N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
CID 92887004
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
ethyl 3-[[6-(2-methylpiperidin-1-yl)sulfonylquinolin-2-yl]amino]benzoate
CID 50760420
ethyl 3-[[6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinolin-2-yl]amino]benzoate
CID 92887011

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline (CID 92887015) is 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline is C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCc4ccccc43)ccc2c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline?
The InChIKey is AUQURLKMUMJYRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-6-4-5-14-26(17)29(27,28)20-10-11-21-19(16-20)9-12-23(24-21)25-15-13-18-7-2-3-8-22(18)25/h2-3,7-12,16-17H,4-6,13-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline?
2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline has a molecular weight of 407.54 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 92887015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).