2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

C20H24N2O2S — CID 25333430

IUPAC2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C20H24N2O2S/c1-24-16-8-9-17-15(13-16)5-2-10-21(17)14-20(23)22-11-3-6-18(22)19-7-4-12-25-19/h4,7-9,12-13,18H,2-3,5-6,10-11,14H2,1H3/t18-/m0/s1
InChIKeyNJJNOKRDNGWSHI-SFHVURJKSA-N
MW356.49 g/mol
LogP3.87
Rot. Bonds4

About 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 25333430) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
PubChem CID25333430
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C20H24N2O2S/c1-24-16-8-9-17-15(13-16)5-2-10-21(17)14-20(23)22-11-3-6-18(22)19-7-4-12-25-19/h4,7-9,12-13,18H,2-3,5-6,10-11,14H2,1H3/t18-/m0/s1
InChIKeyNJJNOKRDNGWSHI-SFHVURJKSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 2-(4-methoxyphenyl)acetate
CID 31939256
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 56809620
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 51111336
(E)-3-(2,4-dimethoxyphenyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 51152883
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 87016925
4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzonitrile
CID 17435386
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (CID 25333430) is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1cccs1.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is NJJNOKRDNGWSHI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-24-16-8-9-17-15(13-16)5-2-10-21(17)14-20(23)22-11-3-6-18(22)19-7-4-12-25-19/h4,7-9,12-13,18H,2-3,5-6,10-11,14H2,1H3/t18-/m0/s1.
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 356.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 25333430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).