4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline

C21H19NO — CID 25034428

IUPAC4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
SMILESCOc1ccc2c(c1)CC(C)C(c1cncc3ccccc13)=C2
InChIInChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
InChIKeyQCSKVMGDCMKCLG-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.98
Rot. Bonds2

About 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline

4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline (PubChem CID 25034428) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
PubChem CID25034428
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
SMILESCOc1ccc2c(c1)CC(C)C(c1cncc3ccccc13)=C2
InChIInChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
InChIKeyQCSKVMGDCMKCLG-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline?
The IUPAC name of 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline (CID 25034428) is 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline.
What is the SMILES notation for 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline?
The canonical SMILES for 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline is COc1ccc2c(c1)CC(C)C(c1cncc3ccccc13)=C2.
What is the InChIKey of 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline?
The InChIKey is QCSKVMGDCMKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3.
What are the key properties of 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline?
4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline has a molecular weight of 301.39 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline is sourced from PubChem (CID 25034428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).