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

C23H22N2O4 — CID 90117708

IUPAC2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol
SMILESCOCc1ncc(Cc2ccc3cccc(O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H22N2O4/c1-27-13-19-18-11-22(29-3)21(28-2)10-17(18)15(12-24-19)9-16-8-7-14-5-4-6-20(26)23(14)25-16/h4-8,10-12,26H,9,13H2,1-3H3
InChIKeyDSGBLCCLXGAZQS-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.24
Rot. Bonds6

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

2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol (PubChem CID 90117708) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol
PubChem CID90117708
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol
SMILESCOCc1ncc(Cc2ccc3cccc(O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H22N2O4/c1-27-13-19-18-11-22(29-3)21(28-2)10-17(18)15(12-24-19)9-16-8-7-14-5-4-6-20(26)23(14)25-16/h4-8,10-12,26H,9,13H2,1-3H3
InChIKeyDSGBLCCLXGAZQS-UHFFFAOYSA-N
XLogP4.24
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol?
The IUPAC name of 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol (CID 90117708) is 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol is COCc1ncc(Cc2ccc3cccc(O)c3n2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol?
The InChIKey is DSGBLCCLXGAZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-13-19-18-11-22(29-3)21(28-2)10-17(18)15(12-24-19)9-16-8-7-14-5-4-6-20(26)23(14)25-16/h4-8,10-12,26H,9,13H2,1-3H3.
What are the key properties of 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol?
2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol has a molecular weight of 390.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 90117708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).