1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride

C19H25ClN2O3 — CID 24843580

IUPAC1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride
SMILESCOc1cc2ccnc(C(=O)CCC3CCNCC3)c2cc1OC.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-23-17-11-14-7-10-21-19(15(14)12-18(17)24-2)16(22)4-3-13-5-8-20-9-6-13;/h7,10-13,20H,3-6,8-9H2,1-2H3;1H
InChIKeyFRGUEBPFEWTOFW-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.64
Rot. Bonds6

About 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride

1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride (PubChem CID 24843580) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride
PubChem CID24843580
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride
SMILESCOc1cc2ccnc(C(=O)CCC3CCNCC3)c2cc1OC.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-23-17-11-14-7-10-21-19(15(14)12-18(17)24-2)16(22)4-3-13-5-8-20-9-6-13;/h7,10-13,20H,3-6,8-9H2,1-2H3;1H
InChIKeyFRGUEBPFEWTOFW-UHFFFAOYSA-N
XLogP3.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride (CID 24843580) is 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride is COc1cc2ccnc(C(=O)CCC3CCNCC3)c2cc1OC.Cl.
What is the InChIKey of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
The InChIKey is FRGUEBPFEWTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-23-17-11-14-7-10-21-19(15(14)12-18(17)24-2)16(22)4-3-13-5-8-20-9-6-13;/h7,10-13,20H,3-6,8-9H2,1-2H3;1H.
What are the key properties of 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 24843580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).