3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline

C18H19N3O2S — CID 167832851

IUPAC3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCCC3c3ccc[nH]3)cccc2c1
InChIInChI=1S/C18H19N3O2S/c1-13-11-14-5-2-8-17(18(14)20-12-13)24(22,23)21-10-4-7-16(21)15-6-3-9-19-15/h2-3,5-6,8-9,11-12,16,19H,4,7,10H2,1H3
InChIKeyOWCPGVAXTBYTJY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.40
Rot. Bonds3

About 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline

3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline (PubChem CID 167832851) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
PubChem CID167832851
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCCC3c3ccc[nH]3)cccc2c1
InChIInChI=1S/C18H19N3O2S/c1-13-11-14-5-2-8-17(18(14)20-12-13)24(22,23)21-10-4-7-16(21)15-6-3-9-19-15/h2-3,5-6,8-9,11-12,16,19H,4,7,10H2,1H3
InChIKeyOWCPGVAXTBYTJY-UHFFFAOYSA-N
XLogP3.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4aR,8aS)-4-(3-methylquinolin-8-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
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8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
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CID 62673138
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
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CID 167625873
3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116191
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline?
The IUPAC name of 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline (CID 167832851) is 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline?
The canonical SMILES for 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline is Cc1cnc2c(S(=O)(=O)N3CCCC3c3ccc[nH]3)cccc2c1.
What is the InChIKey of 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline?
The InChIKey is OWCPGVAXTBYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-11-14-5-2-8-17(18(14)20-12-13)24(22,23)21-10-4-7-16(21)15-6-3-9-19-15/h2-3,5-6,8-9,11-12,16,19H,4,7,10H2,1H3.
What are the key properties of 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline?
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline has a molecular weight of 341.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 167832851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).