N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C22H23N3O5S — CID 5308370

IUPACN-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C22H23N3O5S/c1-29-16-10-11-17(19(14-16)30-2)24-22(26)18-8-5-13-25(18)31(27,28)20-9-3-6-15-7-4-12-23-21(15)20/h3-4,6-7,9-12,14,18H,5,8,13H2,1-2H3,(H,24,26)
InChIKeyJKFAMQGYXBQYOP-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.04
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 5308370) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID5308370
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C22H23N3O5S/c1-29-16-10-11-17(19(14-16)30-2)24-22(26)18-8-5-13-25(18)31(27,28)20-9-3-6-15-7-4-12-23-21(15)20/h3-4,6-7,9-12,14,18H,5,8,13H2,1-2H3,(H,24,26)
InChIKeyJKFAMQGYXBQYOP-UHFFFAOYSA-N
XLogP3.04
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 5308370) is N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is JKFAMQGYXBQYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-29-16-10-11-17(19(14-16)30-2)24-22(26)18-8-5-13-25(18)31(27,28)20-9-3-6-15-7-4-12-23-21(15)20/h3-4,6-7,9-12,14,18H,5,8,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5308370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).