3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one

C18H16N2O2S — CID 94026029

IUPAC3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C18H16N2O2S/c21-17-14(10-12-4-1-2-5-15(12)19-17)18(22)20-8-3-6-16(20)13-7-9-23-11-13/h1-2,4-5,7,9-11,16H,3,6,8H2,(H,19,21)/t16-/m0/s1
InChIKeyNYJBDVQJBDJCIH-INIZCTEOSA-N
MW324.41 g/mol
LogP3.57
Rot. Bonds2

About 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one

3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 94026029) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID94026029
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C18H16N2O2S/c21-17-14(10-12-4-1-2-5-15(12)19-17)18(22)20-8-3-6-16(20)13-7-9-23-11-13/h1-2,4-5,7,9-11,16H,3,6,8H2,(H,19,21)/t16-/m0/s1
InChIKeyNYJBDVQJBDJCIH-INIZCTEOSA-N
XLogP3.57
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106544997
(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61109638
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 94026029) is 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is NYJBDVQJBDJCIH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17-14(10-12-4-1-2-5-15(12)19-17)18(22)20-8-3-6-16(20)13-7-9-23-11-13/h1-2,4-5,7,9-11,16H,3,6,8H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one?
3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 324.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 94026029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).