2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid

C18H16N2O5S — CID 3494841

IUPAC2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C18H16N2O5S/c21-18(22)14-11-16(17-4-3-9-25-17)19-15-6-5-12(10-13(14)15)26(23,24)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,21,22)
InChIKeyJWKRREQRSASXAP-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.98
Rot. Bonds4

About 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid

2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid (PubChem CID 3494841) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
PubChem CID3494841
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C18H16N2O5S/c21-18(22)14-11-16(17-4-3-9-25-17)19-15-6-5-12(10-13(14)15)26(23,24)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,21,22)
InChIKeyJWKRREQRSASXAP-UHFFFAOYSA-N
XLogP2.98
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone
CID 70343227
6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5123475
2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 4024988
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 14006738
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 70343200
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528751

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid (CID 3494841) is 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccco2)nc2ccc(S(=O)(=O)N3CCCC3)cc12.
What is the InChIKey of 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid?
The InChIKey is JWKRREQRSASXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-18(22)14-11-16(17-4-3-9-25-17)19-15-6-5-12(10-13(14)15)26(23,24)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,21,22).
What are the key properties of 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid?
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid is sourced from PubChem (CID 3494841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).