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

C16H14FNO — CID 669198

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C16H14FNO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2
InChIKeyOKDSQQWCWJFYJD-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.02
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone (PubChem CID 669198) 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-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
PubChem CID669198
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C16H14FNO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2
InChIKeyOKDSQQWCWJFYJD-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

(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
(2-fluorophenyl)-[7-(1-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 82175783
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
CID 122176045
(2-fluorophenyl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644446
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176501214
(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
(5-chloro-2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 17067286
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone (CID 669198) is 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone?
The InChIKey is OKDSQQWCWJFYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(2-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-(2-fluorophenyl)methanone is sourced from PubChem (CID 669198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).