1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C21H23FN2O — CID 37383476

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C21H23FN2O/c1-15-11-17-7-4-9-24(21(17)19(22)12-15)14-20(25)23-10-8-16-5-2-3-6-18(16)13-23/h2-3,5-6,11-12H,4,7-10,13-14H2,1H3
InChIKeyUOGNSTDMGSIZFJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.47
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 37383476) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID37383476
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C21H23FN2O/c1-15-11-17-7-4-9-24(21(17)19(22)12-15)14-20(25)23-10-8-16-5-2-3-6-18(16)13-23/h2-3,5-6,11-12H,4,7-10,13-14H2,1H3
InChIKeyUOGNSTDMGSIZFJ-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383592
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 31308382
N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55881140
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 37383606
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 34010560
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443
3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 11492360
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 37383476) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cc(F)c2c(c1)CCCN2CC(=O)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is UOGNSTDMGSIZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-15-11-17-7-4-9-24(21(17)19(22)12-15)14-20(25)23-10-8-16-5-2-3-6-18(16)13-23/h2-3,5-6,11-12H,4,7-10,13-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 338.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 37383476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).