3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone

C19H18FNO — CID 110411008

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCc2ccccc2C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H18FNO/c20-17-8-4-3-7-16(17)19(10-11-19)18(22)21-12-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2
InChIKeyLBDOIHYWMIEJQW-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.44
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone (PubChem CID 110411008) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
PubChem CID110411008
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCc2ccccc2C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H18FNO/c20-17-8-4-3-7-16(17)19(10-11-19)18(22)21-12-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2
InChIKeyLBDOIHYWMIEJQW-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 71979870
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
5-[1-(2-fluorophenyl)cyclopentanecarbonyl]-2-oxa-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-17-one
CID 133066609
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211710
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729472

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone (CID 110411008) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone is O=C(N1CCc2ccccc2C1)C1(c2ccccc2F)CC1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
The InChIKey is LBDOIHYWMIEJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c20-17-8-4-3-7-16(17)19(10-11-19)18(22)21-12-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone has a molecular weight of 295.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 110411008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).