6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline

C23H22N2O2 — CID 74538930

IUPAC6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
SMILESCOc1cc2c(Cc3cnc4cc(C)ccc4c3)cnc(C)c2cc1OC
InChIInChI=1S/C23H22N2O2/c1-14-5-6-17-8-16(12-25-21(17)7-14)9-18-13-24-15(2)19-10-22(26-3)23(27-4)11-20(18)19/h5-8,10-13H,9H2,1-4H3
InChIKeyNWBMXFYGRSIRLC-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.01
Rot. Bonds4

About 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline

6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline (PubChem CID 74538930) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
PubChem CID74538930
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
SMILESCOc1cc2c(Cc3cnc4cc(C)ccc4c3)cnc(C)c2cc1OC
InChIInChI=1S/C23H22N2O2/c1-14-5-6-17-8-16(12-25-21(17)7-14)9-18-13-24-15(2)19-10-22(26-3)23(27-4)11-20(18)19/h5-8,10-13H,9H2,1-4H3
InChIKeyNWBMXFYGRSIRLC-UHFFFAOYSA-N
XLogP5.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-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-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
The IUPAC name of 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline (CID 74538930) is 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline is COc1cc2c(Cc3cnc4cc(C)ccc4c3)cnc(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
The InChIKey is NWBMXFYGRSIRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-14-5-6-17-8-16(12-25-21(17)7-14)9-18-13-24-15(2)19-10-22(26-3)23(27-4)11-20(18)19/h5-8,10-13H,9H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline has a molecular weight of 358.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline is sourced from PubChem (CID 74538930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).