2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline

C16H19N3O2S — CID 108782981

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline
SMILESO=S(=O)(C1CC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H19N3O2S/c20-22(21,14-6-7-14)19-11-9-18(10-12-19)16-8-5-13-3-1-2-4-15(13)17-16/h1-5,8,14H,6-7,9-12H2
InChIKeyDXQABDPBMXSQFK-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline

2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline (PubChem CID 108782981) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline
PubChem CID108782981
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline
SMILESO=S(=O)(C1CC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H19N3O2S/c20-22(21,14-6-7-14)19-11-9-18(10-12-19)16-8-5-13-3-1-2-4-15(13)17-16/h1-5,8,14H,6-7,9-12H2
InChIKeyDXQABDPBMXSQFK-UHFFFAOYSA-N
XLogP1.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline
CID 3696036
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 163346171
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061
6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine
CID 64554066
[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 167768729
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
CID 71192818
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline (CID 108782981) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline is O=S(=O)(C1CC1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline?
The InChIKey is DXQABDPBMXSQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,14-6-7-14)19-11-9-18(10-12-19)16-8-5-13-3-1-2-4-15(13)17-16/h1-5,8,14H,6-7,9-12H2.
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline?
2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline has a molecular weight of 317.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline is sourced from PubChem (CID 108782981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).