3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline

C22H23ClN2O3S — CID 18559528

IUPAC3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC(C)C3)c2c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-4-3-11-25(14-15)22-19-12-17(28-2)7-10-20(19)24-13-21(22)29(26,27)18-8-5-16(23)6-9-18/h5-10,12-13,15H,3-4,11,14H2,1-2H3
InChIKeyJIAXTVOTLIYPRM-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.97
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline

3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline (PubChem CID 18559528) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline
PubChem CID18559528
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC(C)C3)c2c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-4-3-11-25(14-15)22-19-12-17(28-2)7-10-20(19)24-13-21(22)29(26,27)18-8-5-16(23)6-9-18/h5-10,12-13,15H,3-4,11,14H2,1-2H3
InChIKeyJIAXTVOTLIYPRM-UHFFFAOYSA-N
XLogP4.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline (CID 18559528) is 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline is COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC(C)C3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline?
The InChIKey is JIAXTVOTLIYPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-4-3-11-25(14-15)22-19-12-17(28-2)7-10-20(19)24-13-21(22)29(26,27)18-8-5-16(23)6-9-18/h5-10,12-13,15H,3-4,11,14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline?
3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline has a molecular weight of 430.96 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 18559528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).