8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline

C18H20N4O2S — CID 124951511

IUPAC8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
SMILESCn1cnc(S(=O)(=O)N2CC[C@@H](Cc3cccc4cccnc34)C2)c1
InChIInChI=1S/C18H20N4O2S/c1-21-12-17(20-13-21)25(23,24)22-9-7-14(11-22)10-16-5-2-4-15-6-3-8-19-18(15)16/h2-6,8,12-14H,7,9-11H2,1H3/t14-/m0/s1
InChIKeyDIGVZOBSWPAASU-AWEZNQCLSA-N
MW356.45 g/mol
LogP2.22
Rot. Bonds4

About 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline

8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline (PubChem CID 124951511) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
PubChem CID124951511
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
SMILESCn1cnc(S(=O)(=O)N2CC[C@@H](Cc3cccc4cccnc34)C2)c1
InChIInChI=1S/C18H20N4O2S/c1-21-12-17(20-13-21)25(23,24)22-9-7-14(11-22)10-16-5-2-4-15-6-3-8-19-18(15)16/h2-6,8,12-14H,7,9-11H2,1H3/t14-/m0/s1
InChIKeyDIGVZOBSWPAASU-AWEZNQCLSA-N
XLogP2.22
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline?
The IUPAC name of 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline (CID 124951511) is 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline.
What is the SMILES notation for 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline?
The canonical SMILES for 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline is Cn1cnc(S(=O)(=O)N2CC[C@@H](Cc3cccc4cccnc34)C2)c1.
What is the InChIKey of 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline?
The InChIKey is DIGVZOBSWPAASU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21-12-17(20-13-21)25(23,24)22-9-7-14(11-22)10-16-5-2-4-15-6-3-8-19-18(15)16/h2-6,8,12-14H,7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline?
8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline has a molecular weight of 356.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline is sourced from PubChem (CID 124951511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).