6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline

C23H21NO2 — CID 6620587

IUPAC6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline
SMILESCOc1cc2cc(C)nc(Cc3cccc4ccccc34)c2cc1OC
InChIInChI=1S/C23H21NO2/c1-15-11-18-13-22(25-2)23(26-3)14-20(18)21(24-15)12-17-9-6-8-16-7-4-5-10-19(16)17/h4-11,13-14H,12H2,1-3H3
InChIKeyLARRBIMKFGTXKQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.30
Rot. Bonds4

About 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline

6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline (PubChem CID 6620587) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline
PubChem CID6620587
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline
SMILESCOc1cc2cc(C)nc(Cc3cccc4ccccc34)c2cc1OC
InChIInChI=1S/C23H21NO2/c1-15-11-18-13-22(25-2)23(26-3)14-20(18)21(24-15)12-17-9-6-8-16-7-4-5-10-19(16)17/h4-11,13-14H,12H2,1-3H3
InChIKeyLARRBIMKFGTXKQ-UHFFFAOYSA-N
XLogP5.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline?
The IUPAC name of 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline (CID 6620587) is 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline?
The canonical SMILES for 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline is COc1cc2cc(C)nc(Cc3cccc4ccccc34)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline?
The InChIKey is LARRBIMKFGTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15-11-18-13-22(25-2)23(26-3)14-20(18)21(24-15)12-17-9-6-8-16-7-4-5-10-19(16)17/h4-11,13-14H,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline?
6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline has a molecular weight of 343.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-1-(naphthalen-1-ylmethyl)isoquinoline is sourced from PubChem (CID 6620587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).