6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline

C28H24N2O2 — CID 74539128

IUPAC6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline
SMILESCOc1cc2c(Cc3ccc4nc(C)ccc4c3)cnc(-c3ccccc3)c2cc1OC
InChIInChI=1S/C28H24N2O2/c1-18-9-11-21-13-19(10-12-25(21)30-18)14-22-17-29-28(20-7-5-4-6-8-20)24-16-27(32-3)26(31-2)15-23(22)24/h4-13,15-17H,14H2,1-3H3
InChIKeyKLRDDTBLZKCDSL-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.37
Rot. Bonds5

About 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline

6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline (PubChem CID 74539128) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline
PubChem CID74539128
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline
SMILESCOc1cc2c(Cc3ccc4nc(C)ccc4c3)cnc(-c3ccccc3)c2cc1OC
InChIInChI=1S/C28H24N2O2/c1-18-9-11-21-13-19(10-12-25(21)30-18)14-22-17-29-28(20-7-5-4-6-8-20)24-16-27(32-3)26(31-2)15-23(22)24/h4-13,15-17H,14H2,1-3H3
InChIKeyKLRDDTBLZKCDSL-UHFFFAOYSA-N
XLogP6.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline 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-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline?
The IUPAC name of 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline (CID 74539128) is 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline is COc1cc2c(Cc3ccc4nc(C)ccc4c3)cnc(-c3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline?
The InChIKey is KLRDDTBLZKCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-18-9-11-21-13-19(10-12-25(21)30-18)14-22-17-29-28(20-7-5-4-6-8-20)24-16-27(32-3)26(31-2)15-23(22)24/h4-13,15-17H,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline?
6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline has a molecular weight of 420.51 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline is sourced from PubChem (CID 74539128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).