1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol

C17H15NO4 — CID 22297560

IUPAC1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
SMILESCOc1cc2ccnc(C(O)c3ccc(O)cc3)c2cc1O
InChIInChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3
InChIKeyXWZBLZPLPZOXQV-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.74
Rot. Bonds3

About 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol

1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol (PubChem CID 22297560) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
PubChem CID22297560
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
SMILESCOc1cc2ccnc(C(O)c3ccc(O)cc3)c2cc1O
InChIInChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3
InChIKeyXWZBLZPLPZOXQV-UHFFFAOYSA-N
XLogP2.74
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Moxaverine
CID 70882
Columbamine
CID 72310
Palmatine Chloride
CID 73442
Coralyne chloride
CID 23306
Jatrorrhizine
CID 72323
Berberrubine
CID 72704
Octaverine
CID 68363

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
The IUPAC name of 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol (CID 22297560) is 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol.
What is the SMILES notation for 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
The canonical SMILES for 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol is COc1cc2ccnc(C(O)c3ccc(O)cc3)c2cc1O.
What is the InChIKey of 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
The InChIKey is XWZBLZPLPZOXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3.
What are the key properties of 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol has a molecular weight of 297.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol is sourced from PubChem (CID 22297560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).