2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol

C22H20N2O3 — CID 90117756

IUPAC2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol
SMILESCOc1cc2c(Cc3ccc4cccc(O)c4n3)cnc(C)c2cc1OC
InChIInChI=1S/C22H20N2O3/c1-13-17-10-20(26-2)21(27-3)11-18(17)15(12-23-13)9-16-8-7-14-5-4-6-19(25)22(14)24-16/h4-8,10-12,25H,9H2,1-3H3
InChIKeyGDUXRCYHAYEBJU-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.41
Rot. Bonds4

About 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol

2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol (PubChem CID 90117756) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol
PubChem CID90117756
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol
SMILESCOc1cc2c(Cc3ccc4cccc(O)c4n3)cnc(C)c2cc1OC
InChIInChI=1S/C22H20N2O3/c1-13-17-10-20(26-2)21(27-3)11-18(17)15(12-23-13)9-16-8-7-14-5-4-6-19(25)22(14)24-16/h4-8,10-12,25H,9H2,1-3H3
InChIKeyGDUXRCYHAYEBJU-UHFFFAOYSA-N
XLogP4.41
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol?
The IUPAC name of 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol (CID 90117756) is 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol?
The canonical SMILES for 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol is COc1cc2c(Cc3ccc4cccc(O)c4n3)cnc(C)c2cc1OC.
What is the InChIKey of 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol?
The InChIKey is GDUXRCYHAYEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-13-17-10-20(26-2)21(27-3)11-18(17)15(12-23-13)9-16-8-7-14-5-4-6-19(25)22(14)24-16/h4-8,10-12,25H,9H2,1-3H3.
What are the key properties of 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol?
2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol has a molecular weight of 360.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 90117756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).