1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide

C20H27N3O4S — CID 56534694

IUPAC1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C20H27N3O4S/c1-2-15-28(25,26)23-13-5-9-17(23)20(24)22-12-6-14-27-18-10-3-7-16-8-4-11-21-19(16)18/h3-4,7-8,10-11,17H,2,5-6,9,12-15H2,1H3,(H,22,24)
InChIKeyFZKPHRIMPYVFOI-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.32
Rot. Bonds9

About 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide

1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide (PubChem CID 56534694) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
PubChem CID56534694
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C20H27N3O4S/c1-2-15-28(25,26)23-13-5-9-17(23)20(24)22-12-6-14-27-18-10-3-7-16-8-4-11-21-19(16)18/h3-4,7-8,10-11,17H,2,5-6,9,12-15H2,1H3,(H,22,24)
InChIKeyFZKPHRIMPYVFOI-UHFFFAOYSA-N
XLogP2.32
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
CID 56585573
(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 56535222
1-propylsulfonyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55618309
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
CID 55835325
1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
CID 56534724
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide (CID 56534694) is 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is FZKPHRIMPYVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-2-15-28(25,26)23-13-5-9-17(23)20(24)22-12-6-14-27-18-10-3-7-16-8-4-11-21-19(16)18/h3-4,7-8,10-11,17H,2,5-6,9,12-15H2,1H3,(H,22,24).
What are the key properties of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56534694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).