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

C23H22FN3O — CID 109172324

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCc2ccccc2F)c1)N1CCc2ccccc2C1
InChIInChI=1S/C23H22FN3O/c24-21-8-4-3-6-18(21)9-12-25-22-15-19(10-13-26-22)23(28)27-14-11-17-5-1-2-7-20(17)16-27/h1-8,10,13,15H,9,11-12,14,16H2,(H,25,26)
InChIKeyHEDIWPDFGYVTIZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.07
Rot. Bonds5

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

3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone (PubChem CID 109172324) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
PubChem CID109172324
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCc2ccccc2F)c1)N1CCc2ccccc2C1
InChIInChI=1S/C23H22FN3O/c24-21-8-4-3-6-18(21)9-12-25-22-15-19(10-13-26-22)23(28)27-14-11-17-5-1-2-7-20(17)16-27/h1-8,10,13,15H,9,11-12,14,16H2,(H,25,26)
InChIKeyHEDIWPDFGYVTIZ-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172543
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
CID 109281425
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172552
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
3,4-dihydro-1H-isoquinolin-2-yl-[4-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109213749
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
[2-(3-chloro-4-methylanilino)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109172358

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone (CID 109172324) is 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone is O=C(c1ccnc(NCCc2ccccc2F)c1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
The InChIKey is HEDIWPDFGYVTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-21-8-4-3-6-18(21)9-12-25-22-15-19(10-13-26-22)23(28)27-14-11-17-5-1-2-7-20(17)16-27/h1-8,10,13,15H,9,11-12,14,16H2,(H,25,26).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone has a molecular weight of 375.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone is sourced from PubChem (CID 109172324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).