(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride

C17H25ClN2O4 — CID 119273685

IUPAC(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(OC)c2c1CN(C(=O)C1CCCCN1)CC2O.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-22-14-6-7-15(23-2)16-11(14)9-19(10-13(16)20)17(21)12-5-3-4-8-18-12;/h6-7,12-13,18,20H,3-5,8-10H2,1-2H3;1H
InChIKeyULUVHIGKCNLBQK-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.64
Rot. Bonds3

About (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride

(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119273685) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride
PubChem CID119273685
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(OC)c2c1CN(C(=O)C1CCCCN1)CC2O.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-22-14-6-7-15(23-2)16-11(14)9-19(10-13(16)20)17(21)12-5-3-4-8-18-12;/h6-7,12-13,18,20H,3-5,8-10H2,1-2H3;1H
InChIKeyULUVHIGKCNLBQK-UHFFFAOYSA-N
XLogP1.64
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride with MolForge

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Related Compounds

1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-2-ylethanone
CID 119694138
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120919943
(4-aminophenyl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119694107
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119694097
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119694098
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one;hydrochloride
CID 119273717
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119694123
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 119273712
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
5-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyrrole-3-carbonitrile
CID 124608338

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride (CID 119273685) is (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride is COc1ccc(OC)c2c1CN(C(=O)C1CCCCN1)CC2O.Cl.
What is the InChIKey of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is ULUVHIGKCNLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-22-14-6-7-15(23-2)16-11(14)9-19(10-13(16)20)17(21)12-5-3-4-8-18-12;/h6-7,12-13,18,20H,3-5,8-10H2,1-2H3;1H.
What are the key properties of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride?
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119273685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).