6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one

C11H10ClNO5S — CID 134910353

IUPAC6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(S(C)(=O)=O)c(O)c2cc1Cl
InChIInChI=1S/C11H10ClNO5S/c1-18-8-4-7-5(3-6(8)12)9(14)10(11(15)13-7)19(2,16)17/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyKJDQMWBEYKSVMD-UHFFFAOYSA-N
MW303.72 g/mol
LogP1.30
Rot. Bonds2

About 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one

6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one (PubChem CID 134910353) has the molecular formula C11H10ClNO5S and a molecular weight of 303.72 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
PubChem CID134910353
Molecular FormulaC11H10ClNO5S
Molecular Weight303.72 g/mol
Exact Mass303.00
IUPAC Name6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(S(C)(=O)=O)c(O)c2cc1Cl
InChIInChI=1S/C11H10ClNO5S/c1-18-8-4-7-5(3-6(8)12)9(14)10(11(15)13-7)19(2,16)17/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyKJDQMWBEYKSVMD-UHFFFAOYSA-N
XLogP1.30
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 107622842
4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
CID 118724938
CID 154597526
CID 154597526
6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724937
7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642932
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
6-chloro-7-methoxy-1H-cinnolin-4-one
CID 157040708
(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-methyl-propylsulfanium
CID 139820562
3-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82501837
6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724924

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one (CID 134910353) is 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(S(C)(=O)=O)c(O)c2cc1Cl.
What is the InChIKey of 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one?
The InChIKey is KJDQMWBEYKSVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5S/c1-18-8-4-7-5(3-6(8)12)9(14)10(11(15)13-7)19(2,16)17/h3-4H,1-2H3,(H2,13,14,15).
What are the key properties of 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one?
6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one has a molecular weight of 303.72 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 134910353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).