2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine

C29H37N5O3S — CID 91400666

IUPAC2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine
SMILESCOc1nc2ccccc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1.CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C24H25N3O.C5H12N2O2S/c1-28-24-20(14-18-7-3-4-8-21(18)26-24)23-15-19-13-17(9-10-22(19)25-23)16-27-11-5-2-6-12-27;1-10(8,9)7-4-2-6-3-5-7/h3-4,7-10,13-15,25H,2,5-6,11-12,16H2,1H3;6H,2-5H2,1H3
InChIKeyLOPWIQCVJSDECZ-UHFFFAOYSA-N
MW535.71 g/mol
LogP4.23
Rot. Bonds5

About 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine

2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine (PubChem CID 91400666) has the molecular formula C29H37N5O3S and a molecular weight of 535.71 g/mol. Its IUPAC name is 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine.

Molecular Properties

Compound Name2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine
PubChem CID91400666
Molecular FormulaC29H37N5O3S
Molecular Weight535.71 g/mol
Exact Mass535.26
IUPAC Name2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine
SMILESCOc1nc2ccccc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1.CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C24H25N3O.C5H12N2O2S/c1-28-24-20(14-18-7-3-4-8-21(18)26-24)23-15-19-13-17(9-10-22(19)25-23)16-27-11-5-2-6-12-27;1-10(8,9)7-4-2-6-3-5-7/h3-4,7-10,13-15,25H,2,5-6,11-12,16H2,1H3;6H,2-5H2,1H3
InChIKeyLOPWIQCVJSDECZ-UHFFFAOYSA-N
XLogP4.23
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.71
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine with MolForge

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Related Compounds

ethane;2-methoxy-3-[5-[(4-sulfanylpiperazin-1-yl)methyl]-1H-indol-2-yl]quinoline
CID 142981824
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
2-methoxy-3-(4-piperazin-1-ylsulfonylphenyl)quinoline
CID 155914490
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
[3-oxo-4-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-isoindol-2-yl] benzenesulfonate;hydrochloride
CID 87471409
[1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] benzenesulfonate
CID 46215192
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethenyl]quinoline
CID 11271626
[1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] propane-2-sulfonate
CID 87470892
2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
CID 56722322
2-chloro-1-(2-methoxyquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethanone
CID 11168580

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine?
The IUPAC name of 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine (CID 91400666) is 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine.
What is the SMILES notation for 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine?
The canonical SMILES for 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine is COc1nc2ccccc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1.CS(=O)(=O)N1CCNCC1.
What is the InChIKey of 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine?
The InChIKey is LOPWIQCVJSDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O.C5H12N2O2S/c1-28-24-20(14-18-7-3-4-8-21(18)26-24)23-15-19-13-17(9-10-22(19)25-23)16-27-11-5-2-6-12-27;1-10(8,9)7-4-2-6-3-5-7/h3-4,7-10,13-15,25H,2,5-6,11-12,16H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine?
2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine has a molecular weight of 535.71 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]quinoline;1-methylsulfonylpiperazine is sourced from PubChem (CID 91400666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).