7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline

C22H23ClN2O3S — CID 24782510

IUPAC7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCOc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-8-10-25(11-9-15)22-19-7-6-16(23)12-20(19)24-14-21(22)29(26,27)18-5-3-4-17(13-18)28-2/h3-7,12-15H,8-11H2,1-2H3
InChIKeyBJHFIEIBWGSGMR-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.97
Rot. Bonds4

About 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline

7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 24782510) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID24782510
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCOc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-8-10-25(11-9-15)22-19-7-6-16(23)12-20(19)24-14-21(22)29(26,27)18-5-3-4-17(13-18)28-2/h3-7,12-15H,8-11H2,1-2H3
InChIKeyBJHFIEIBWGSGMR-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 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (CID 24782510) is 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is COc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)c1.
What is the InChIKey of 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is BJHFIEIBWGSGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-8-10-25(11-9-15)22-19-7-6-16(23)12-20(19)24-14-21(22)29(26,27)18-5-3-4-17(13-18)28-2/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-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 7-chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 24782510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).