2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid

C15H16N2O5S — CID 99988195

IUPAC2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCC2)c2cccnc12
InChIInChI=1S/C15H16N2O5S/c18-14(19)10-22-12-5-6-13(11-4-3-7-16-15(11)12)23(20,21)17-8-1-2-9-17/h3-7H,1-2,8-10H2,(H,18,19)
InChIKeyAVDCCGMNDCERKG-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.48
Rot. Bonds5

About 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid

2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid (PubChem CID 99988195) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
PubChem CID99988195
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCC2)c2cccnc12
InChIInChI=1S/C15H16N2O5S/c18-14(19)10-22-12-5-6-13(11-4-3-7-16-15(11)12)23(20,21)17-8-1-2-9-17/h3-7H,1-2,8-10H2,(H,18,19)
InChIKeyAVDCCGMNDCERKG-UHFFFAOYSA-N
XLogP1.48
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
CID 15991639
8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane
CID 159706834
8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline
CID 23963964
1-[8-[(5-piperidin-1-ylsulfonylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]hexan-1-one
CID 20678156
3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
1-(azepan-1-yl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 55560037
2-(5-chloroquinolin-8-yl)oxy-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55448274
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
CID 167755588
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069
(5-chloroquinolin-8-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 8716504
8-piperidin-1-ylsulfonylquinoline
CID 768759

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid (CID 99988195) is 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid is O=C(O)COc1ccc(S(=O)(=O)N2CCCC2)c2cccnc12.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid?
The InChIKey is AVDCCGMNDCERKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c18-14(19)10-22-12-5-6-13(11-4-3-7-16-15(11)12)23(20,21)17-8-1-2-9-17/h3-7H,1-2,8-10H2,(H,18,19).
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid?
2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid has a molecular weight of 336.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid is sourced from PubChem (CID 99988195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).