1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H25F3N2O3S — CID 75430233

IUPAC1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCC1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C19H25F3N2O3S/c1-3-9-18(19(20,21)22)10-5-12-24(18)28(26,27)16-7-8-17-15(13-16)6-4-11-23(17)14(2)25/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyWWTLWKCGEMCHNJ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.87
Rot. Bonds4

About 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 75430233) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID75430233
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC Name1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCC1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C19H25F3N2O3S/c1-3-9-18(19(20,21)22)10-5-12-24(18)28(26,27)16-7-8-17-15(13-16)6-4-11-23(17)14(2)25/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyWWTLWKCGEMCHNJ-UHFFFAOYSA-N
XLogP3.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-[6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46361608
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
1-[6-(4-butan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113073014
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperazine-1-carbaldehyde
CID 113098087
1-[6-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113072690
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110292834
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 75430233) is 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCCC1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is WWTLWKCGEMCHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c1-3-9-18(19(20,21)22)10-5-12-24(18)28(26,27)16-7-8-17-15(13-16)6-4-11-23(17)14(2)25/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 418.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 75430233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).