[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone

C15H14FNOS — CID 845075

IUPAC[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C15H14FNOS/c1-10-4-5-11-9-12(16)6-7-13(11)17(10)15(18)14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3/t10-/m1/s1
InChIKeyWPWRRZROVXLQSZ-SNVBAGLBSA-N
MW275.35 g/mol
LogP3.87
Rot. Bonds1

About [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone

[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone (PubChem CID 845075) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
PubChem CID845075
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C15H14FNOS/c1-10-4-5-11-9-12(16)6-7-13(11)17(10)15(18)14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3/t10-/m1/s1
InChIKeyWPWRRZROVXLQSZ-SNVBAGLBSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 52992953
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42761883
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 112773074
(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 27307310

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone (CID 845075) is [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone is C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccs1.
What is the InChIKey of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WPWRRZROVXLQSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-4-5-11-9-12(16)6-7-13(11)17(10)15(18)14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 845075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).