1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H20FNO — CID 142306913

IUPAC1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](C)c2cc(Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H20FNO/c1-13-9-10-21(14(2)22)19-8-5-16(12-18(13)19)11-15-3-6-17(20)7-4-15/h3-8,12-13H,9-11H2,1-2H3/t13-/m0/s1
InChIKeyCSWMVDWATNTKON-ZDUSSCGKSA-N
MW297.37 g/mol
LogP4.28
Rot. Bonds2

About 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 142306913) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID142306913
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](C)c2cc(Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H20FNO/c1-13-9-10-21(14(2)22)19-8-5-16(12-18(13)19)11-15-3-6-17(20)7-4-15/h3-8,12-13H,9-11H2,1-2H3/t13-/m0/s1
InChIKeyCSWMVDWATNTKON-ZDUSSCGKSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233
1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123357809
benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 142904428
2-(1-acetyl-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-4-yl)acetic acid
CID 82624855
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531299
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid
CID 70159553
4-[3-(6-amino-4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzonitrile
CID 18367056
1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
propan-2-yl 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173742
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86337029

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 142306913) is 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CC[C@H](C)c2cc(Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is CSWMVDWATNTKON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-9-10-21(14(2)22)19-8-5-16(12-18(13)19)11-15-3-6-17(20)7-4-15/h3-8,12-13H,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 297.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 142306913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).