6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid

C18H16N2O6S — CID 20895736

IUPAC6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCCC3c3ccco3)cc2c1=O
InChIInChI=1S/C18H16N2O6S/c21-17-12-9-11(5-6-14(12)19-10-13(17)18(22)23)27(24,25)20-7-1-3-15(20)16-4-2-8-26-16/h2,4-6,8-10,15H,1,3,7H2,(H,19,21)(H,22,23)
InChIKeyRYNMXSZMYGUUMD-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.35
Rot. Bonds4

About 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid

6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 20895736) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID20895736
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCCC3c3ccco3)cc2c1=O
InChIInChI=1S/C18H16N2O6S/c21-17-12-9-11(5-6-14(12)19-10-13(17)18(22)23)27(24,25)20-7-1-3-15(20)16-4-2-8-26-16/h2,4-6,8-10,15H,1,3,7H2,(H,19,21)(H,22,23)
InChIKeyRYNMXSZMYGUUMD-UHFFFAOYSA-N
XLogP2.35
TPSA120.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
2,3-difluoro-5-[2-(furan-2-yl)azepan-1-yl]sulfonylbenzoic acid
CID 167896052
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 3236136
(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
CID 51550831
(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine
CID 99823476
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 6616543
6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 97261482

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 20895736) is 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCCC3c3ccco3)cc2c1=O.
What is the InChIKey of 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is RYNMXSZMYGUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c21-17-12-9-11(5-6-14(12)19-10-13(17)18(22)23)27(24,25)20-7-1-3-15(20)16-4-2-8-26-16/h2,4-6,8-10,15H,1,3,7H2,(H,19,21)(H,22,23).
What are the key properties of 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 20895736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).