2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid

C23H24N2O5S — CID 4024988

IUPAC2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C23H24N2O5S/c1-15-6-9-22(30-2)19(12-15)21-14-18(23(26)27)17-13-16(7-8-20(17)24-21)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,27)
InChIKeyUZRWADASXKWJSG-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.09
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid

2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid (PubChem CID 4024988) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
PubChem CID4024988
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1
InChIInChI=1S/C23H24N2O5S/c1-15-6-9-22(30-2)19(12-15)21-14-18(23(26)27)17-13-16(7-8-20(17)24-21)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,27)
InChIKeyUZRWADASXKWJSG-UHFFFAOYSA-N
XLogP4.09
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5123475
6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3752137
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
3-methoxy-2-methyl-5-piperidin-1-ylsulfonylbenzoic acid
CID 20505890

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid (CID 4024988) is 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid is COc1ccc(C)cc1-c1cc(C(=O)O)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid?
The InChIKey is UZRWADASXKWJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15-6-9-22(30-2)19(12-15)21-14-18(23(26)27)17-13-16(7-8-20(17)24-21)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,27).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid?
2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid has a molecular weight of 440.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid is sourced from PubChem (CID 4024988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).