2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate

C11H8NO5S- — CID 54715880

IUPAC2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate
SMILESO=C([O-])C[S@@](=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C11H9NO5S/c13-8(14)5-18(17)10-9(15)6-3-1-2-4-7(6)12-11(10)16/h1-4H,5H2,(H,13,14)(H2,12,15,16)/p-1/t18-/m1/s1
InChIKeyIMCBULNKFBKBLH-GOSISDBHSA-M
MW266.25 g/mol
LogP-0.91
Rot. Bonds3

About 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate

2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate (PubChem CID 54715880) has the molecular formula C11H8NO5S- and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate.

Molecular Properties

Compound Name2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate
PubChem CID54715880
Molecular FormulaC11H8NO5S-
Molecular Weight266.25 g/mol
Exact Mass266.01
IUPAC Name2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate
SMILESO=C([O-])C[S@@](=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C11H9NO5S/c13-8(14)5-18(17)10-9(15)6-3-1-2-4-7(6)12-11(10)16/h1-4H,5H2,(H,13,14)(H2,12,15,16)/p-1/t18-/m1/s1
InChIKeyIMCBULNKFBKBLH-GOSISDBHSA-M
XLogP-0.91
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
CID 131863122
CID 131863122
(4-hydroxy-2-oxo-1H-quinolin-3-yl)carbamodithioic acid
CID 175845399
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate?
The IUPAC name of 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate (CID 54715880) is 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate.
What is the SMILES notation for 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate?
The canonical SMILES for 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate is O=C([O-])C[S@@](=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate?
The InChIKey is IMCBULNKFBKBLH-GOSISDBHSA-M. The full InChI is InChI=1S/C11H9NO5S/c13-8(14)5-18(17)10-9(15)6-3-1-2-4-7(6)12-11(10)16/h1-4H,5H2,(H,13,14)(H2,12,15,16)/p-1/t18-/m1/s1.
What are the key properties of 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate?
2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate has a molecular weight of 266.25 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfinyl]acetate is sourced from PubChem (CID 54715880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).