N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C23H25N3O5S — CID 5308310

IUPACN-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC
InChIInChI=1S/C23H25N3O5S/c1-30-19-11-10-18(14-20(19)31-2)25-23(27)17-8-5-13-26(15-17)32(28,29)21-9-3-6-16-7-4-12-24-22(16)21/h3-4,6-7,9-12,14,17H,5,8,13,15H2,1-2H3,(H,25,27)
InChIKeyDYKWEDBDEJYMHJ-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.29
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5308310) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5308310
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC
InChIInChI=1S/C23H25N3O5S/c1-30-19-11-10-18(14-20(19)31-2)25-23(27)17-8-5-13-26(15-17)32(28,29)21-9-3-6-16-7-4-12-24-22(16)21/h3-4,6-7,9-12,14,17H,5,8,13,15H2,1-2H3,(H,25,27)
InChIKeyDYKWEDBDEJYMHJ-UHFFFAOYSA-N
XLogP3.29
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5308310) is N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DYKWEDBDEJYMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-30-19-11-10-18(14-20(19)31-2)25-23(27)17-8-5-13-26(15-17)32(28,29)21-9-3-6-16-7-4-12-24-22(16)21/h3-4,6-7,9-12,14,17H,5,8,13,15H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5308310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).