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

C21H17FN2O — CID 110400518

IUPAC(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2ccccc2C1c1cccnc1
InChIInChI=1S/C21H17FN2O/c22-19-10-4-3-9-18(19)21(25)24-13-11-15-6-1-2-8-17(15)20(24)16-7-5-12-23-14-16/h1-10,12,14,20H,11,13H2
InChIKeyUKESQKWFXLHMSC-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.01
Rot. Bonds2

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

(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110400518) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110400518
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2ccccc2C1c1cccnc1
InChIInChI=1S/C21H17FN2O/c22-19-10-4-3-9-18(19)21(25)24-13-11-15-6-1-2-8-17(15)20(24)16-7-5-12-23-14-16/h1-10,12,14,20H,11,13H2
InChIKeyUKESQKWFXLHMSC-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 46095577
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289094
N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110400562
[(1S)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methylphenyl)methanone
CID 92767557
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
(2,5-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92768096
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
[(1R)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 92762278
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,5-difluorophenyl)methanone
CID 92769029

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110400518) is (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccccc1F)N1CCc2ccccc2C1c1cccnc1.
What is the InChIKey of (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is UKESQKWFXLHMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-19-10-4-3-9-18(19)21(25)24-13-11-15-6-1-2-8-17(15)20(24)16-7-5-12-23-14-16/h1-10,12,14,20H,11,13H2.
What are the key properties of (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 332.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110400518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).