[2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

C24H24N2O6S — CID 1042482

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C24H24N2O6S/c1-31-20-9-7-17(8-10-20)21(27)16-32-24(28)19-11-14-26(15-12-19)33(29,30)22-6-2-4-18-5-3-13-25-23(18)22/h2-10,13,19H,11-12,14-16H2,1H3
InChIKeyJOZBONOFFFGPCT-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.07
Rot. Bonds7

About [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate (PubChem CID 1042482) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate
PubChem CID1042482
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C24H24N2O6S/c1-31-20-9-7-17(8-10-20)21(27)16-32-24(28)19-11-14-26(15-12-19)33(29,30)22-6-2-4-18-5-3-13-25-23(18)22/h2-10,13,19H,11-12,14-16H2,1H3
InChIKeyJOZBONOFFFGPCT-UHFFFAOYSA-N
XLogP3.07
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate (CID 1042482) is [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate is COc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is JOZBONOFFFGPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-31-20-9-7-17(8-10-20)21(27)16-32-24(28)19-11-14-26(15-12-19)33(29,30)22-6-2-4-18-5-3-13-25-23(18)22/h2-10,13,19H,11-12,14-16H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 468.53 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 1042482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).