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

C43H42Cl4N4O5S2 — CID 158886725

IUPAC7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCC1CCN(c2c(S(=O)(=O)c3cccc(Cl)c3)cnc3cc(Cl)ccc23)CC1.COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)cc1Cl
InChIInChI=1S/C22H22Cl2N2O3S.C21H20Cl2N2O2S/c1-14-7-9-26(10-8-14)22-17-5-3-15(23)11-19(17)25-13-21(22)30(27,28)16-4-6-20(29-2)18(24)12-16;1-14-7-9-25(10-8-14)21-18-6-5-16(23)12-19(18)24-13-20(21)28(26,27)17-4-2-3-15(22)11-17/h3-6,11-14H,7-10H2,1-2H3;2-6,11-14H,7-10H2,1H3
InChIKeyJDSLNEVOWWETHV-UHFFFAOYSA-N
MW900.78 g/mol
LogP11.23
Rot. Bonds7

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

7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 158886725) has the molecular formula C43H42Cl4N4O5S2 and a molecular weight of 900.78 g/mol. Its IUPAC name is 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID158886725
Molecular FormulaC43H42Cl4N4O5S2
Molecular Weight900.78 g/mol
Exact Mass898.14
IUPAC Name7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCC1CCN(c2c(S(=O)(=O)c3cccc(Cl)c3)cnc3cc(Cl)ccc23)CC1.COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)cc1Cl
InChIInChI=1S/C22H22Cl2N2O3S.C21H20Cl2N2O2S/c1-14-7-9-26(10-8-14)22-17-5-3-15(23)11-19(17)25-13-21(22)30(27,28)16-4-6-20(29-2)18(24)12-16;1-14-7-9-25(10-8-14)21-18-6-5-16(23)12-19(18)24-13-20(21)28(26,27)17-4-2-3-15(22)11-17/h3-6,11-14H,7-10H2,1-2H3;2-6,11-14H,7-10H2,1H3
InChIKeyJDSLNEVOWWETHV-UHFFFAOYSA-N
XLogP11.23
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.78
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (CID 158886725) is 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is CC1CCN(c2c(S(=O)(=O)c3cccc(Cl)c3)cnc3cc(Cl)ccc23)CC1.COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)cc1Cl.
What is the InChIKey of 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is JDSLNEVOWWETHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3S.C21H20Cl2N2O2S/c1-14-7-9-26(10-8-14)22-17-5-3-15(23)11-19(17)25-13-21(22)30(27,28)16-4-6-20(29-2)18(24)12-16;1-14-7-9-25(10-8-14)21-18-6-5-16(23)12-19(18)24-13-20(21)28(26,27)17-4-2-3-15(22)11-17/h3-6,11-14H,7-10H2,1-2H3;2-6,11-14H,7-10H2,1H3.
What are the key properties of 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline has a molecular weight of 900.78 g/mol, XLogP of 11.23, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 158886725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).