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

C16H14FNO — CID 669222

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H14FNO/c17-15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2
InChIKeyUNPQPNWCRBYUAP-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.02
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone (PubChem CID 669222) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone
PubChem CID669222
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H14FNO/c17-15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2
InChIKeyUNPQPNWCRBYUAP-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 30717
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CID 9799284
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
3,4-dihydroisoquinolin-1(2H)-one
CID 150896
2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile
CID 230488
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone (CID 669222) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone?
The InChIKey is UNPQPNWCRBYUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.02, 1 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-(4-fluorophenyl)methanone is sourced from PubChem (CID 669222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).