5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one

C24H22FNO2 — CID 2152064

IUPAC5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1ccc(CN2CCc3c(OCc4ccc(F)cc4)cccc3C2=O)cc1
InChIInChI=1S/C24H22FNO2/c1-17-5-7-18(8-6-17)15-26-14-13-21-22(24(26)27)3-2-4-23(21)28-16-19-9-11-20(25)12-10-19/h2-12H,13-16H2,1H3
InChIKeyTVAPJTSMQSBIAD-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.91
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one

5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 2152064) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
PubChem CID2152064
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1ccc(CN2CCc3c(OCc4ccc(F)cc4)cccc3C2=O)cc1
InChIInChI=1S/C24H22FNO2/c1-17-5-7-18(8-6-17)15-26-14-13-21-22(24(26)27)3-2-4-23(21)28-16-19-9-11-20(25)12-10-19/h2-12H,13-16H2,1H3
InChIKeyTVAPJTSMQSBIAD-UHFFFAOYSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
Spiro[chroman-2,4'-piperidin]-1'-yl(4-(trifluoromethyl)phenyl)methanone
CID 44583353
2-[(E)-3-(4-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71458474
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
Morpholino(3-phenoxyphenyl)methanone
CID 6465484
2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One
CID 46742375
4-[3-[4-(4-Fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
CID 133107908
1,11b-Dihydro-[2h]benzopyrano[4,3,2-de]isoquinolin-3-one
CID 9881187

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one (CID 2152064) is 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one is Cc1ccc(CN2CCc3c(OCc4ccc(F)cc4)cccc3C2=O)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is TVAPJTSMQSBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c1-17-5-7-18(8-6-17)15-26-14-13-21-22(24(26)27)3-2-4-23(21)28-16-19-9-11-20(25)12-10-19/h2-12H,13-16H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 375.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2152064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).