6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid

C21H21N3O4S — CID 70343200

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)O)c3c2)CC1
InChIInChI=1S/C21H21N3O4S/c1-14-7-10-24(11-8-14)29(27,28)15-5-6-18-16(12-15)17(21(25)26)13-20(23-18)19-4-2-3-9-22-19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
InChIKeyKAORUWTYRCOVRY-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.42
Rot. Bonds4

About 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid

6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 70343200) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID70343200
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)O)c3c2)CC1
InChIInChI=1S/C21H21N3O4S/c1-14-7-10-24(11-8-14)29(27,28)15-5-6-18-16(12-15)17(21(25)26)13-20(23-18)19-4-2-3-9-22-19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
InChIKeyKAORUWTYRCOVRY-UHFFFAOYSA-N
XLogP3.42
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968613
6-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968612
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 20968590
[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone
CID 70343227
N-butyl-N-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-2-ylquinoline-4-carboxamide
CID 3546220
N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 20968660
N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 70343236
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475
N-[3-(3-methylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53204657
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 70343200) is 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid is CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)O)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is KAORUWTYRCOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14-7-10-24(11-8-14)29(27,28)15-5-6-18-16(12-15)17(21(25)26)13-20(23-18)19-4-2-3-9-22-19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26).
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 411.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 70343200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).