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

C23H26N2O4S — CID 18559573

IUPAC6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCOc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16-10-12-25(13-11-16)23-20-14-18(29-3)6-9-21(20)24-15-22(23)30(26,27)19-7-4-17(28-2)5-8-19/h4-9,14-16H,10-13H2,1-3H3
InChIKeyAEHKLVHPPYQXKY-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.32
Rot. Bonds5

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

6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 18559573) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID18559573
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCOc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16-10-12-25(13-11-16)23-20-14-18(29-3)6-9-21(20)24-15-22(23)30(26,27)19-7-4-17(28-2)5-8-19/h4-9,14-16H,10-13H2,1-3H3
InChIKeyAEHKLVHPPYQXKY-UHFFFAOYSA-N
XLogP4.32
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 7184120
6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline
CID 18559858
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-4-carboxylate
CID 16825260
6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
CID 16807387
6-(isocyanomethyl)-3-(4-methoxyphenyl)sulfonyl-4-(4-piperidin-1-ylpiperidin-1-yl)quinoline
CID 156683762
3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
CID 16807335
ethyl (3S)-1-[6-ethoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate
CID 28902423
ethyl (3R)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
CID 30437598
ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
CID 30437603
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
CID 16807376
3-(4-ethoxy-2-fluorophenyl)sulfonyl-4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-6-methoxyquinoline
CID 160963595
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (CID 18559573) is 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC(C)CC2)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is AEHKLVHPPYQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16-10-12-25(13-11-16)23-20-14-18(29-3)6-9-21(20)24-15-22(23)30(26,27)19-7-4-17(28-2)5-8-19/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline has a molecular weight of 426.54 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 18559573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).