(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C22H23N3O3S — CID 56535222

IUPAC(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C22H23N3O3S/c26-21(17-8-3-13-25(17)22(27)19-10-4-15-29-19)24-12-5-14-28-18-9-1-6-16-7-2-11-23-20(16)18/h1-2,4,6-7,9-11,15,17H,3,5,8,12-14H2,(H,24,26)/t17-/m0/s1
InChIKeyVIRMWSSPBQZWNE-KRWDZBQOSA-N
MW409.51 g/mol
LogP3.49
Rot. Bonds7

About (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56535222) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56535222
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C22H23N3O3S/c26-21(17-8-3-13-25(17)22(27)19-10-4-15-29-19)24-12-5-14-28-18-9-1-6-16-7-2-11-23-20(16)18/h1-2,4,6-7,9-11,15,17H,3,5,8,12-14H2,(H,24,26)/t17-/m0/s1
InChIKeyVIRMWSSPBQZWNE-KRWDZBQOSA-N
XLogP3.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.49
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)pyrrolidine-2-carboxamide
CID 56534694
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
CID 56585573
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
tert-butyl N-[2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]ethyl]carbamate
CID 47082171
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
(2S)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55938910
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide
CID 56534680

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 56535222) is (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCCCOc1cccc2cccnc12)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is VIRMWSSPBQZWNE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-21(17-8-3-13-25(17)22(27)19-10-4-15-29-19)24-12-5-14-28-18-9-1-6-16-7-2-11-23-20(16)18/h1-2,4,6-7,9-11,15,17H,3,5,8,12-14H2,(H,24,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56535222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).