3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine

C24H21ClN2O4S — CID 18560146

IUPAC3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3cccc(OC)c3)c2c1
InChIInChI=1S/C24H21ClN2O4S/c1-3-31-19-9-12-22-21(14-19)24(27-17-5-4-6-18(13-17)30-2)23(15-26-22)32(28,29)20-10-7-16(25)8-11-20/h4-15H,3H2,1-2H3,(H,26,27)
InChIKeyXEVBGJGZQMWNJH-UHFFFAOYSA-N
MW468.96 g/mol
LogP5.87
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine

3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine (PubChem CID 18560146) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
PubChem CID18560146
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3cccc(OC)c3)c2c1
InChIInChI=1S/C24H21ClN2O4S/c1-3-31-19-9-12-22-21(14-19)24(27-17-5-4-6-18(13-17)30-2)23(15-26-22)32(28,29)20-10-7-16(25)8-11-20/h4-15H,3H2,1-2H3,(H,26,27)
InChIKeyXEVBGJGZQMWNJH-UHFFFAOYSA-N
XLogP5.87
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560475
3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
CID 18590226
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130
4-[(4-chlorophenyl)methylsulfanyl]-3-(4-chlorophenyl)sulfonyl-6-methoxyquinoline
CID 22425090
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
CID 16807376
N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590209
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 16804653
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine (CID 18560146) is 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine is CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3cccc(OC)c3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
The InChIKey is XEVBGJGZQMWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-3-31-19-9-12-22-21(14-19)24(27-17-5-4-6-18(13-17)30-2)23(15-26-22)32(28,29)20-10-7-16(25)8-11-20/h4-15H,3H2,1-2H3,(H,26,27).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine has a molecular weight of 468.96 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 18560146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).