2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone

C22H25FN2O — CID 3604045

IUPAC2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CNCc2ccc(F)cc2)c2cc(C)ccc21
InChIInChI=1S/C22H25FN2O/c1-15-5-10-19-16(2)12-22(3,4)25(20(19)11-15)21(26)14-24-13-17-6-8-18(23)9-7-17/h5-12,24H,13-14H2,1-4H3
InChIKeyAVECKDURXSOSPX-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.45
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone

2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone (PubChem CID 3604045) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
PubChem CID3604045
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CNCc2ccc(F)cc2)c2cc(C)ccc21
InChIInChI=1S/C22H25FN2O/c1-15-5-10-19-16(2)12-22(3,4)25(20(19)11-15)21(26)14-24-13-17-6-8-18(23)9-7-17/h5-12,24H,13-14H2,1-4H3
InChIKeyAVECKDURXSOSPX-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996744
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone
CID 19164018
N-[2-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 2425783
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 69416606

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone (CID 3604045) is 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone is CC1=CC(C)(C)N(C(=O)CNCc2ccc(F)cc2)c2cc(C)ccc21.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
The InChIKey is AVECKDURXSOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15-5-10-19-16(2)12-22(3,4)25(20(19)11-15)21(26)14-24-13-17-6-8-18(23)9-7-17/h5-12,24H,13-14H2,1-4H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone has a molecular weight of 352.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone is sourced from PubChem (CID 3604045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).