1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone

C22H20F2N2O — CID 55671799

IUPAC1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C22H20F2N2O/c1-13-16-6-3-4-8-20(16)25-14(2)18(13)12-22(27)26-9-5-7-17-19(24)10-15(23)11-21(17)26/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyORBDELXVGJJJGE-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.65
Rot. Bonds2

About 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone

1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone (PubChem CID 55671799) has the molecular formula C22H20F2N2O and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
PubChem CID55671799
Molecular FormulaC22H20F2N2O
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C22H20F2N2O/c1-13-16-6-3-4-8-20(16)25-14(2)18(13)12-22(27)26-9-5-7-17-19(24)10-15(23)11-21(17)26/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyORBDELXVGJJJGE-UHFFFAOYSA-N
XLogP4.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone?
The IUPAC name of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone (CID 55671799) is 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone is Cc1nc2ccccc2c(C)c1CC(=O)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone?
The InChIKey is ORBDELXVGJJJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O/c1-13-16-6-3-4-8-20(16)25-14(2)18(13)12-22(27)26-9-5-7-17-19(24)10-15(23)11-21(17)26/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3.
What are the key properties of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone?
1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone has a molecular weight of 366.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone is sourced from PubChem (CID 55671799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).