3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine

C20H21ClN2O3S — CID 20882608

IUPAC3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine
SMILESCCN(CC)c1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(OC)cc12
InChIInChI=1S/C20H21ClN2O3S/c1-4-23(5-2)20-17-12-15(26-3)8-11-18(17)22-13-19(20)27(24,25)16-9-6-14(21)7-10-16/h6-13H,4-5H2,1-3H3
InChIKeyWUMZINWQNGDCPH-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.58
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine

3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine (PubChem CID 20882608) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine
PubChem CID20882608
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine
SMILESCCN(CC)c1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(OC)cc12
InChIInChI=1S/C20H21ClN2O3S/c1-4-23(5-2)20-17-12-15(26-3)8-11-18(17)22-13-19(20)27(24,25)16-9-6-14(21)7-10-16/h6-13H,4-5H2,1-3H3
InChIKeyWUMZINWQNGDCPH-UHFFFAOYSA-N
XLogP4.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

{2-[1-(4-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9800707
{2-[1-(2-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9821904
{2-[1-(3-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9908552
8-[6-Methoxy-3-(4-methoxybenzenesulfonyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 12006038
8-Chloro-3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)quinoline
CID 25100152
8-Chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)quinoline
CID 46226975
N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide
CID 4102570
6-Methoxy-4-(4-(4-methoxyphenyl)piperazin-1-yl)-3-(phenylsulfonyl)quinoline
CID 12006108
3-(4-Ethylbenzenesulfonyl)-6-methoxy-4-(3-methylpiperidin-1-yl)quinoline
CID 16010891
6-Chloro-3-(4-methoxybenzenesulfonyl)-4-(2-methylpiperidin-1-YL)quinoline
CID 16010897
N-(4-ethoxyphenyl)-6-methoxy-3-tosylquinolin-4-amine
CID 16010948
6-Ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
CID 16807349

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine (CID 20882608) is 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine is CCN(CC)c1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(OC)cc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine?
The InChIKey is WUMZINWQNGDCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-4-23(5-2)20-17-12-15(26-3)8-11-18(17)22-13-19(20)27(24,25)16-9-6-14(21)7-10-16/h6-13H,4-5H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine?
3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine has a molecular weight of 404.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-6-methoxyquinolin-4-amine is sourced from PubChem (CID 20882608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).