[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C14H15FN2O4S — CID 168677572

IUPAC[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CCc2ccc(N3CC(CS(=O)(=O)F)CC3=O)cc2N1
InChIInChI=1S/C14H15FN2O4S/c15-22(20,21)8-9-5-14(19)17(7-9)11-3-1-10-2-4-13(18)16-12(10)6-11/h1,3,6,9H,2,4-5,7-8H2,(H,16,18)
InChIKeyLBLOUAVIJALPID-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.22
Rot. Bonds3

About [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677572) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677572
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CCc2ccc(N3CC(CS(=O)(=O)F)CC3=O)cc2N1
InChIInChI=1S/C14H15FN2O4S/c15-22(20,21)8-9-5-14(19)17(7-9)11-3-1-10-2-4-13(18)16-12(10)6-11/h1,3,6,9H,2,4-5,7-8H2,(H,16,18)
InChIKeyLBLOUAVIJALPID-UHFFFAOYSA-N
XLogP1.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683059
7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 168509383
[5-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677031
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[5-oxo-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677002
5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidine-3-carboxamide
CID 168698309
[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675834
(1-isoquinolin-6-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677612
[1-(3-cyano-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676002
[1-(3H-benzimidazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677060
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677572) is [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CCc2ccc(N3CC(CS(=O)(=O)F)CC3=O)cc2N1.
What is the InChIKey of [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LBLOUAVIJALPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c15-22(20,21)8-9-5-14(19)17(7-9)11-3-1-10-2-4-13(18)16-12(10)6-11/h1,3,6,9H,2,4-5,7-8H2,(H,16,18).
What are the key properties of [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 326.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).