8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid

C12H11NO5S — CID 15179627

IUPAC8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)cc(S(C)(=O)=O)nc12
InChIInChI=1S/C12H11NO5S/c1-18-9-5-3-4-7-8(12(14)15)6-10(13-11(7)9)19(2,16)17/h3-6H,1-2H3,(H,14,15)
InChIKeyAYDPIGCTSQZPAM-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.35
Rot. Bonds3

About 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid

8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid (PubChem CID 15179627) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
PubChem CID15179627
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)cc(S(C)(=O)=O)nc12
InChIInChI=1S/C12H11NO5S/c1-18-9-5-3-4-7-8(12(14)15)6-10(13-11(7)9)19(2,16)17/h3-6H,1-2H3,(H,14,15)
InChIKeyAYDPIGCTSQZPAM-UHFFFAOYSA-N
XLogP1.35
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
8,10-dimethoxyphenanthridine-4-carboxylic acid
CID 101486809
2,3-dimethoxy-5-methylsulfonylbenzoic acid
CID 13053688
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139876
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid?
The IUPAC name of 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid (CID 15179627) is 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid?
The canonical SMILES for 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid is COc1cccc2c(C(=O)O)cc(S(C)(=O)=O)nc12.
What is the InChIKey of 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid?
The InChIKey is AYDPIGCTSQZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c1-18-9-5-3-4-7-8(12(14)15)6-10(13-11(7)9)19(2,16)17/h3-6H,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid?
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid is sourced from PubChem (CID 15179627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).