6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline

C22H19NO2 — CID 74539930

IUPAC6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline
SMILESCOc1cc2cncc(Cc3ccc4ccccc4c3)c2cc1OC
InChIInChI=1S/C22H19NO2/c1-24-21-11-19-14-23-13-18(20(19)12-22(21)25-2)10-15-7-8-16-5-3-4-6-17(16)9-15/h3-9,11-14H,10H2,1-2H3
InChIKeyUGGDCHCOSZWUTN-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.00
Rot. Bonds4

About 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline

6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline (PubChem CID 74539930) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline
PubChem CID74539930
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline
SMILESCOc1cc2cncc(Cc3ccc4ccccc4c3)c2cc1OC
InChIInChI=1S/C22H19NO2/c1-24-21-11-19-14-23-13-18(20(19)12-22(21)25-2)10-15-7-8-16-5-3-4-6-17(16)9-15/h3-9,11-14H,10H2,1-2H3
InChIKeyUGGDCHCOSZWUTN-UHFFFAOYSA-N
XLogP5.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)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-(naphthalen-2-ylmethyl)isoquinoline?
The IUPAC name of 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline (CID 74539930) is 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline is COc1cc2cncc(Cc3ccc4ccccc4c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline?
The InChIKey is UGGDCHCOSZWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-24-21-11-19-14-23-13-18(20(19)12-22(21)25-2)10-15-7-8-16-5-3-4-6-17(16)9-15/h3-9,11-14H,10H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline?
6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline has a molecular weight of 329.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline is sourced from PubChem (CID 74539930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).