3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol

C23H22N2O4 — CID 90117655

IUPAC3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol
SMILESCOCc1ncc(Cc2cnc3ccc(O)cc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H22N2O4/c1-27-13-21-19-10-23(29-3)22(28-2)9-18(19)16(12-25-21)7-14-6-15-8-17(26)4-5-20(15)24-11-14/h4-6,8-12,26H,7,13H2,1-3H3
InChIKeyPWPCHMGVBLUUIA-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.24
Rot. Bonds6

About 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol

3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol (PubChem CID 90117655) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol.

Molecular Properties

Compound Name3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol
PubChem CID90117655
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol
SMILESCOCc1ncc(Cc2cnc3ccc(O)cc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H22N2O4/c1-27-13-21-19-10-23(29-3)22(28-2)9-18(19)16(12-25-21)7-14-6-15-8-17(26)4-5-20(15)24-11-14/h4-6,8-12,26H,7,13H2,1-3H3
InChIKeyPWPCHMGVBLUUIA-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 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol?
The IUPAC name of 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol (CID 90117655) is 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol.
What is the SMILES notation for 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol?
The canonical SMILES for 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol is COCc1ncc(Cc2cnc3ccc(O)cc3c2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol?
The InChIKey is PWPCHMGVBLUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-13-21-19-10-23(29-3)22(28-2)9-18(19)16(12-25-21)7-14-6-15-8-17(26)4-5-20(15)24-11-14/h4-6,8-12,26H,7,13H2,1-3H3.
What are the key properties of 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol?
3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-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 3-[[6,7-dimethoxy-1-(methoxymethyl)isoquinolin-4-yl]methyl]quinolin-6-ol is sourced from PubChem (CID 90117655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).