[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C15H17N3O3S — CID 168681419

IUPAC[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CC(CS(N)(=O)=O)CC2=O)c2cccnc12
InChIInChI=1S/C15H17N3O3S/c1-10-4-5-13(12-3-2-6-17-15(10)12)18-8-11(7-14(18)19)9-22(16,20)21/h2-6,11H,7-9H2,1H3,(H2,16,20,21)
InChIKeyCDQPSGISKLULLF-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.18
Rot. Bonds3

About [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681419) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681419
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CC(CS(N)(=O)=O)CC2=O)c2cccnc12
InChIInChI=1S/C15H17N3O3S/c1-10-4-5-13(12-3-2-6-17-15(10)12)18-8-11(7-14(18)19)9-22(16,20)21/h2-6,11H,7-9H2,1H3,(H2,16,20,21)
InChIKeyCDQPSGISKLULLF-UHFFFAOYSA-N
XLogP1.18
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683221
[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683370
4-ethynyl-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168501102
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
[1-(4-amino-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681397
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680870
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206

Frequently Asked Questions

What is the IUPAC name of [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681419) is [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1ccc(N2CC(CS(N)(=O)=O)CC2=O)c2cccnc12.
What is the InChIKey of [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CDQPSGISKLULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-4-5-13(12-3-2-6-17-15(10)12)18-8-11(7-14(18)19)9-22(16,20)21/h2-6,11H,7-9H2,1H3,(H2,16,20,21).
What are the key properties of [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).