5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine

C21H24N4O2S — CID 53302558

IUPAC5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine
SMILESCc1cnc(S(=O)(=O)c2cnc3ccccc3c2)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H24N4O2S/c1-15-13-23-21(12-20(15)24-17-7-9-25(2)10-8-17)28(26,27)18-11-16-5-3-4-6-19(16)22-14-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,23,24)
InChIKeyYJSNDSYVMANYOK-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.28
Rot. Bonds4

About 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine

5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine (PubChem CID 53302558) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine
PubChem CID53302558
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine
SMILESCc1cnc(S(=O)(=O)c2cnc3ccccc3c2)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H24N4O2S/c1-15-13-23-21(12-20(15)24-17-7-9-25(2)10-8-17)28(26,27)18-11-16-5-3-4-6-19(16)22-14-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,23,24)
InChIKeyYJSNDSYVMANYOK-UHFFFAOYSA-N
XLogP3.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine?
The IUPAC name of 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine (CID 53302558) is 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine.
What is the SMILES notation for 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine?
The canonical SMILES for 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine is Cc1cnc(S(=O)(=O)c2cnc3ccccc3c2)cc1NC1CCN(C)CC1.
What is the InChIKey of 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine?
The InChIKey is YJSNDSYVMANYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-13-23-21(12-20(15)24-17-7-9-25(2)10-8-17)28(26,27)18-11-16-5-3-4-6-19(16)22-14-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine?
5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine has a molecular weight of 396.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine is sourced from PubChem (CID 53302558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).