2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C22H24FNO — CID 24720105

IUPAC2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCc2ccccc2C1c1ccc(F)cc1
InChIInChI=1S/C22H24FNO/c23-19-11-9-18(10-12-19)22-20-8-4-3-7-17(20)13-14-24(22)21(25)15-16-5-1-2-6-16/h3-4,7-12,16,22H,1-2,5-6,13-15H2
InChIKeyRDCOIXUOYFYHDJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.88
Rot. Bonds3

About 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 24720105) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID24720105
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCc2ccccc2C1c1ccc(F)cc1
InChIInChI=1S/C22H24FNO/c23-19-11-9-18(10-12-19)22-20-8-4-3-7-17(20)13-14-24(22)21(25)15-16-5-1-2-6-16/h3-4,7-12,16,22H,1-2,5-6,13-15H2
InChIKeyRDCOIXUOYFYHDJ-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Praziquantel
CID 4891
Arpraziquantel
CID 445900
1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
CID 28576
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
2-(2-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline
CID 576973
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
10-Methyl-1,4-dihydro-1,4-(epiminomethano)naphthalen-9-one
CID 429398
Praziquantel, (S)-
CID 1917817
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
Piperidine Derivative, 5k
CID 24776396

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 24720105) is 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is O=C(CC1CCCC1)N1CCc2ccccc2C1c1ccc(F)cc1.
What is the InChIKey of 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is RDCOIXUOYFYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c23-19-11-9-18(10-12-19)22-20-8-4-3-7-17(20)13-14-24(22)21(25)15-16-5-1-2-6-16/h3-4,7-12,16,22H,1-2,5-6,13-15H2.
What are the key properties of 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 337.44 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 24720105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).