6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline

C22H20N2O3 — CID 74539414

IUPAC6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline
SMILESCOc1cc2cncc(Cc3ccc4cccc(OC)c4n3)c2cc1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-6-4-5-14-7-8-17(24-22(14)19)9-15-12-23-13-16-10-20(26-2)21(27-3)11-18(15)16/h4-8,10-13H,9H2,1-3H3
InChIKeyYZTHXLAMXKPEOV-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.40
Rot. Bonds5

About 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline

6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline (PubChem CID 74539414) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline
PubChem CID74539414
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline
SMILESCOc1cc2cncc(Cc3ccc4cccc(OC)c4n3)c2cc1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-6-4-5-14-7-8-17(24-22(14)19)9-15-12-23-13-16-10-20(26-2)21(27-3)11-18(15)16/h4-8,10-13H,9H2,1-3H3
InChIKeyYZTHXLAMXKPEOV-UHFFFAOYSA-N
XLogP4.40
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline?
The IUPAC name of 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline (CID 74539414) is 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline is COc1cc2cncc(Cc3ccc4cccc(OC)c4n3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline?
The InChIKey is YZTHXLAMXKPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-19-6-4-5-14-7-8-17(24-22(14)19)9-15-12-23-13-16-10-20(26-2)21(27-3)11-18(15)16/h4-8,10-13H,9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline?
6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline has a molecular weight of 360.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline is sourced from PubChem (CID 74539414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).