(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide

C14H15N3O3S — CID 168683221

IUPAC(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccnc3ccccc23)C1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)9-10-7-14(18)17(8-10)13-5-6-16-12-4-2-1-3-11(12)13/h1-6,10H,7-9H2,(H2,15,19,20)
InChIKeyDAYFLWMSLVSSIB-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.88
Rot. Bonds3

About (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide

(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 168683221) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
PubChem CID168683221
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccnc3ccccc23)C1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)9-10-7-14(18)17(8-10)13-5-6-16-12-4-2-1-3-11(12)13/h1-6,10H,7-9H2,(H2,15,19,20)
InChIKeyDAYFLWMSLVSSIB-UHFFFAOYSA-N
XLogP0.88
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683370
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
[1-(2-isoquinolin-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682033
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide (CID 168683221) is (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccnc3ccccc23)C1.
What is the InChIKey of (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is DAYFLWMSLVSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-21(19,20)9-10-7-14(18)17(8-10)13-5-6-16-12-4-2-1-3-11(12)13/h1-6,10H,7-9H2,(H2,15,19,20).
What are the key properties of (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 168683221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).