6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium

C24H29N2O3S+ — CID 7184119

IUPAC6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium
SMILESCCc1ccc2[nH+]cc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC(C)CC3)c2c1
InChIInChI=1S/C24H28N2O3S/c1-4-18-5-10-22-21(15-18)24(26-13-11-17(2)12-14-26)23(16-25-22)30(27,28)20-8-6-19(29-3)7-9-20/h5-10,15-17H,4,11-14H2,1-3H3/p+1
InChIKeyNRJDVCJHKFGQIW-UHFFFAOYSA-O
MW425.57 g/mol
LogP4.29
Rot. Bonds5

About 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium

6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium (PubChem CID 7184119) has the molecular formula C24H29N2O3S+ and a molecular weight of 425.57 g/mol. Its IUPAC name is 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium.

Molecular Properties

Compound Name6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium
PubChem CID7184119
Molecular FormulaC24H29N2O3S+
Molecular Weight425.57 g/mol
Exact Mass425.19
IUPAC Name6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium
SMILESCCc1ccc2[nH+]cc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC(C)CC3)c2c1
InChIInChI=1S/C24H28N2O3S/c1-4-18-5-10-22-21(15-18)24(26-13-11-17(2)12-14-26)23(16-25-22)30(27,28)20-8-6-19(29-3)7-9-20/h5-10,15-17H,4,11-14H2,1-3H3/p+1
InChIKeyNRJDVCJHKFGQIW-UHFFFAOYSA-O
XLogP4.29
TPSA60.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium with MolForge

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Related Compounds

3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium
CID 7184485
6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 7184120
3-(4-chlorophenyl)sulfonyl-6-ethyl-4-pyrrolidin-1-ylquinolin-1-ium
CID 7184575
6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylquinolin-1-ium
CID 2150562
6-methoxy-3-(4-methylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium
CID 2150538
3-(4-chlorophenyl)sulfonyl-6-methoxy-4-pyrrolidin-1-ylquinolin-1-ium
CID 2151510
3-(benzenesulfonyl)-6-methoxy-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium
CID 7470603
4-[3-(3,4-dimethylphenyl)sulfonyl-6-ethylquinolin-1-ium-4-yl]morpholine
CID 2151722
4-[6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]morpholine
CID 2144810
3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-ethylquinolin-1-ium
CID 2138479
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573
4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium
CID 2140979

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium?
The IUPAC name of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium (CID 7184119) is 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium.
What is the SMILES notation for 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium?
The canonical SMILES for 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium is CCc1ccc2[nH+]cc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC(C)CC3)c2c1.
What is the InChIKey of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium?
The InChIKey is NRJDVCJHKFGQIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2O3S/c1-4-18-5-10-22-21(15-18)24(26-13-11-17(2)12-14-26)23(16-25-22)30(27,28)20-8-6-19(29-3)7-9-20/h5-10,15-17H,4,11-14H2,1-3H3/p+1.
What are the key properties of 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium?
6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium has a molecular weight of 425.57 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium is sourced from PubChem (CID 7184119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).