(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide

C18H17N3O2S — CID 100740167

IUPAC(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC[C@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H17N3O2S/c22-18(20-17-6-3-11-24-17)21-10-9-14(12-21)23-16-8-7-13-4-1-2-5-15(13)19-16/h1-8,11,14H,9-10,12H2,(H,20,22)/t14-/m0/s1
InChIKeyKWHJEFZUWZKAMP-AWEZNQCLSA-N
MW339.42 g/mol
LogP3.98
Rot. Bonds3

About (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide

(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 100740167) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID100740167
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC[C@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H17N3O2S/c22-18(20-17-6-3-11-24-17)21-10-9-14(12-21)23-16-8-7-13-4-1-2-5-15(13)19-16/h1-8,11,14H,9-10,12H2,(H,20,22)/t14-/m0/s1
InChIKeyKWHJEFZUWZKAMP-AWEZNQCLSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide (CID 100740167) is (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1cccs1)N1CC[C@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is KWHJEFZUWZKAMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(20-17-6-3-11-24-17)21-10-9-14(12-21)23-16-8-7-13-4-1-2-5-15(13)19-16/h1-8,11,14H,9-10,12H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100740167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).