1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide

C23H25N3O6S — CID 5309619

IUPAC1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C23H25N3O6S/c1-30-18-13-16(14-19(31-2)22(18)32-3)25-23(27)17-9-6-12-26(17)33(28,29)20-10-4-7-15-8-5-11-24-21(15)20/h4-5,7-8,10-11,13-14,17H,6,9,12H2,1-3H3,(H,25,27)
InChIKeyRAJJMJDIKLMNLV-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.05
Rot. Bonds7

About 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide

1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 5309619) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID5309619
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C23H25N3O6S/c1-30-18-13-16(14-19(31-2)22(18)32-3)25-23(27)17-9-6-12-26(17)33(28,29)20-10-4-7-15-8-5-11-24-21(15)20/h4-5,7-8,10-11,13-14,17H,6,9,12H2,1-3H3,(H,25,27)
InChIKeyRAJJMJDIKLMNLV-UHFFFAOYSA-N
XLogP3.05
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 108789855
(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 50897765
3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide
CID 10347402
8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
CID 3758703
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 46119625
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 42758180
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
CID 71305108
1-(3,4-dimethoxyphenyl)sulfonyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 108789805
N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876148

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide (CID 5309619) is 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide is COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RAJJMJDIKLMNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-30-18-13-16(14-19(31-2)22(18)32-3)25-23(27)17-9-6-12-26(17)33(28,29)20-10-4-7-15-8-5-11-24-21(15)20/h4-5,7-8,10-11,13-14,17H,6,9,12H2,1-3H3,(H,25,27).
What are the key properties of 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide?
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5309619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).