2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride

C21H26Cl2FN3O — CID 120882617

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride
SMILESCC(C(=O)Nc1ccc2c(c1F)CCNC2)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C21H24FN3O.2ClH/c1-14(25-11-9-15-4-2-3-5-17(15)13-25)21(26)24-19-7-6-16-12-23-10-8-18(16)20(19)22;;/h2-7,14,23H,8-13H2,1H3,(H,24,26);2*1H
InChIKeyARSJZPGKSLZKAP-UHFFFAOYSA-N
MW426.36 g/mol
LogP3.70
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride (PubChem CID 120882617) has the molecular formula C21H26Cl2FN3O and a molecular weight of 426.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride
PubChem CID120882617
Molecular FormulaC21H26Cl2FN3O
Molecular Weight426.36 g/mol
Exact Mass425.14
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride
SMILESCC(C(=O)Nc1ccc2c(c1F)CCNC2)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C21H24FN3O.2ClH/c1-14(25-11-9-15-4-2-3-5-17(15)13-25)21(26)24-19-7-6-16-12-23-10-8-18(16)20(19)22;;/h2-7,14,23H,8-13H2,1H3,(H,24,26);2*1H
InChIKeyARSJZPGKSLZKAP-UHFFFAOYSA-N
XLogP3.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 120882213
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 120883137
(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
CID 120880934
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881841
2-ethylsulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide;hydrochloride
CID 120883917
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenyl)propanamide;hydrochloride
CID 120883861
2-(1-benzofuran-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883052
N-[1-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 120881100
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenoxy)propanamide
CID 120883970
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 120881854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride (CID 120882617) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride is CC(C(=O)Nc1ccc2c(c1F)CCNC2)N1CCc2ccccc2C1.Cl.Cl.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride?
The InChIKey is ARSJZPGKSLZKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O.2ClH/c1-14(25-11-9-15-4-2-3-5-17(15)13-25)21(26)24-19-7-6-16-12-23-10-8-18(16)20(19)22;;/h2-7,14,23H,8-13H2,1H3,(H,24,26);2*1H.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride has a molecular weight of 426.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120882617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).