3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine

C24H22N2O4S — CID 18560475

IUPAC3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3cccc(OC)c3)c2c1
InChIInChI=1S/C24H22N2O4S/c1-3-30-19-12-13-22-21(15-19)24(26-17-8-7-9-18(14-17)29-2)23(16-25-22)31(27,28)20-10-5-4-6-11-20/h4-16H,3H2,1-2H3,(H,25,26)
InChIKeyFNFSNKDMQVEUHU-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.22
Rot. Bonds7

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

3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine (PubChem CID 18560475) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
PubChem CID18560475
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3cccc(OC)c3)c2c1
InChIInChI=1S/C24H22N2O4S/c1-3-30-19-12-13-22-21(15-19)24(26-17-8-7-9-18(14-17)29-2)23(16-25-22)31(27,28)20-10-5-4-6-11-20/h4-16H,3H2,1-2H3,(H,25,26)
InChIKeyFNFSNKDMQVEUHU-UHFFFAOYSA-N
XLogP5.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine (CID 18560475) is 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine is CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3cccc(OC)c3)c2c1.
What is the InChIKey of 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
The InChIKey is FNFSNKDMQVEUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-30-19-12-13-22-21(15-19)24(26-17-8-7-9-18(14-17)29-2)23(16-25-22)31(27,28)20-10-5-4-6-11-20/h4-16H,3H2,1-2H3,(H,25,26).
What are the key properties of 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine?
3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine has a molecular weight of 434.52 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 18560475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).