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

C24H28N2O4S — CID 18559858

IUPAC6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCCC(C)C3)c2c1
InChIInChI=1S/C24H28N2O4S/c1-4-30-19-9-12-22-21(14-19)24(26-13-5-6-17(2)16-26)23(15-25-22)31(27,28)20-10-7-18(29-3)8-11-20/h7-12,14-15,17H,4-6,13,16H2,1-3H3
InChIKeyDIWNAXYYNVVJGI-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.71
Rot. Bonds6

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

6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline (PubChem CID 18559858) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline
PubChem CID18559858
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCCC(C)C3)c2c1
InChIInChI=1S/C24H28N2O4S/c1-4-30-19-9-12-22-21(14-19)24(26-13-5-6-17(2)16-26)23(15-25-22)31(27,28)20-10-7-18(29-3)8-11-20/h7-12,14-15,17H,4-6,13,16H2,1-3H3
InChIKeyDIWNAXYYNVVJGI-UHFFFAOYSA-N
XLogP4.71
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3S)-1-[6-ethoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate
CID 28902423
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxyquinolin-4-yl]piperidine-3-carboxylate
CID 18559744
6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 7184120
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
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
CID 16807376
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130
6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylquinolin-1-ium
CID 2150562
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-4-carboxylate
CID 16825260
8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 18559531

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline?
The IUPAC name of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline (CID 18559858) is 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline is CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCCC(C)C3)c2c1.
What is the InChIKey of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline?
The InChIKey is DIWNAXYYNVVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-4-30-19-9-12-22-21(14-19)24(26-13-5-6-17(2)16-26)23(15-25-22)31(27,28)20-10-7-18(29-3)8-11-20/h7-12,14-15,17H,4-6,13,16H2,1-3H3.
What are the key properties of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline?
6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline has a molecular weight of 440.57 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(3-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 18559858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).