5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine

C20H22N4O2S — CID 16618051

IUPAC5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2cccc3cccnc23)nc1)N1CCCC1
InChIInChI=1S/C20H22N4O2S/c25-27(26,24-13-1-2-14-24)18-8-9-19(23-15-18)21-12-10-17-6-3-5-16-7-4-11-22-20(16)17/h3-9,11,15H,1-2,10,12-14H2,(H,21,23)
InChIKeyCLXWRAPBSNQLQJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.07
Rot. Bonds6

About 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine

5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine (PubChem CID 16618051) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine
PubChem CID16618051
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2cccc3cccnc23)nc1)N1CCCC1
InChIInChI=1S/C20H22N4O2S/c25-27(26,24-13-1-2-14-24)18-8-9-19(23-15-18)21-12-10-17-6-3-5-16-7-4-11-22-20(16)17/h3-9,11,15H,1-2,10,12-14H2,(H,21,23)
InChIKeyCLXWRAPBSNQLQJ-UHFFFAOYSA-N
XLogP3.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
8-piperidin-1-ylsulfonylquinoline
CID 768759
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
2,3-dichloro-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615086
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine (CID 16618051) is 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine is O=S(=O)(c1ccc(NCCc2cccc3cccnc23)nc1)N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine?
The InChIKey is CLXWRAPBSNQLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-27(26,24-13-1-2-14-24)18-8-9-19(23-15-18)21-12-10-17-6-3-5-16-7-4-11-22-20(16)17/h3-9,11,15H,1-2,10,12-14H2,(H,21,23).
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine?
5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine has a molecular weight of 382.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)pyridin-2-amine is sourced from PubChem (CID 16618051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).