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

C20H22F2N2O — CID 51648905

IUPAC2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESC[C@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O/c1-14-7-8-15-5-3-4-6-19(15)24(14)20(25)13-23(2)12-16-9-10-17(21)11-18(16)22/h3-6,9-11,14H,7-8,12-13H2,1-2H3/t14-/m0/s1
InChIKeyUMCSVIQRWXTSIJ-AWEZNQCLSA-N
MW344.41 g/mol
LogP3.76
Rot. Bonds4

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

2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 51648905) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID51648905
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESC[C@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O/c1-14-7-8-15-5-3-4-6-19(15)24(14)20(25)13-23(2)12-16-9-10-17(21)11-18(16)22/h3-6,9-11,14H,7-8,12-13H2,1-2H3/t14-/m0/s1
InChIKeyUMCSVIQRWXTSIJ-AWEZNQCLSA-N
XLogP3.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 51648905) is 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is C[C@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is UMCSVIQRWXTSIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-14-7-8-15-5-3-4-6-19(15)24(14)20(25)13-23(2)12-16-9-10-17(21)11-18(16)22/h3-6,9-11,14H,7-8,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 344.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 51648905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).