5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride

C15H19Cl2N3O — CID 19595197

IUPAC5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride
SMILESCOc1cccc2c1CCN(Nc1ccncc1)C2.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-19-15-4-2-3-12-11-18(10-7-14(12)15)17-13-5-8-16-9-6-13;;/h2-6,8-9H,7,10-11H2,1H3,(H,16,17);2*1H
InChIKeyFEVFEMHXUMSQJI-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.32
Rot. Bonds3

About 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride

5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride (PubChem CID 19595197) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride
PubChem CID19595197
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride
SMILESCOc1cccc2c1CCN(Nc1ccncc1)C2.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-19-15-4-2-3-12-11-18(10-7-14(12)15)17-13-5-8-16-9-6-13;;/h2-6,8-9H,7,10-11H2,1H3,(H,16,17);2*1H
InChIKeyFEVFEMHXUMSQJI-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride?
The IUPAC name of 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride (CID 19595197) is 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride.
What is the SMILES notation for 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride?
The canonical SMILES for 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride is COc1cccc2c1CCN(Nc1ccncc1)C2.Cl.Cl.
What is the InChIKey of 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride?
The InChIKey is FEVFEMHXUMSQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c1-19-15-4-2-3-12-11-18(10-7-14(12)15)17-13-5-8-16-9-6-13;;/h2-6,8-9H,7,10-11H2,1H3,(H,16,17);2*1H.
What are the key properties of 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride?
5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride is sourced from PubChem (CID 19595197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).