3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C19H19F2NO3S — CID 55872667

IUPAC3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2NO3S/c1-26(24,25)15-6-8-18-14(12-15)3-2-10-22(18)19(23)9-5-13-4-7-16(20)17(21)11-13/h4,6-8,11-12H,2-3,5,9-10H2,1H3
InChIKeyYHOZNNIFQHYULJ-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.28
Rot. Bonds4

About 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 55872667) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID55872667
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2NO3S/c1-26(24,25)15-6-8-18-14(12-15)3-2-10-22(18)19(23)9-5-13-4-7-16(20)17(21)11-13/h4,6-8,11-12H,2-3,5,9-10H2,1H3
InChIKeyYHOZNNIFQHYULJ-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55873557
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
[4-(benzenesulfonylmethyl)phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873828
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one
CID 55872668
1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
CID 55874082
(4-chloro-2-iodophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55874081
(3,4-difluorophenyl) 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 51544921

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 55872667) is 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is YHOZNNIFQHYULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c1-26(24,25)15-6-8-18-14(12-15)3-2-10-22(18)19(23)9-5-13-4-7-16(20)17(21)11-13/h4,6-8,11-12H,2-3,5,9-10H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 379.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 55872667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).