4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine

C17H21N3O3S — CID 50806743

IUPAC4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
SMILESO=S(=O)(c1ccc2nc(N3CCOCC3)ccc2c1)N1CCCC1
InChIInChI=1S/C17H21N3O3S/c21-24(22,20-7-1-2-8-20)15-4-5-16-14(13-15)3-6-17(18-16)19-9-11-23-12-10-19/h3-6,13H,1-2,7-12H2
InChIKeyRCWSSAUZZXXUTJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.86
Rot. Bonds3

About 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine

4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine (PubChem CID 50806743) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
PubChem CID50806743
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
SMILESO=S(=O)(c1ccc2nc(N3CCOCC3)ccc2c1)N1CCCC1
InChIInChI=1S/C17H21N3O3S/c21-24(22,20-7-1-2-8-20)15-4-5-16-14(13-15)3-6-17(18-16)19-9-11-23-12-10-19/h3-6,13H,1-2,7-12H2
InChIKeyRCWSSAUZZXXUTJ-UHFFFAOYSA-N
XLogP1.86
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine
CID 46283466
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(3S)-N-[(2-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888441
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769229
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893334

Frequently Asked Questions

What is the IUPAC name of 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine?
The IUPAC name of 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine (CID 50806743) is 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine.
What is the SMILES notation for 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine?
The canonical SMILES for 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine is O=S(=O)(c1ccc2nc(N3CCOCC3)ccc2c1)N1CCCC1.
What is the InChIKey of 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine?
The InChIKey is RCWSSAUZZXXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-24(22,20-7-1-2-8-20)15-4-5-16-14(13-15)3-6-17(18-16)19-9-11-23-12-10-19/h3-6,13H,1-2,7-12H2.
What are the key properties of 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine?
4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine has a molecular weight of 347.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine is sourced from PubChem (CID 50806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).