7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C21H21NO — CID 44546742

IUPAC7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO/c1-22-13-18-12-19(23-2)9-10-20(18)21(14-22)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,21H,13-14H2,1-2H3
InChIKeyFZPCCSSMXFFDEE-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.43
Rot. Bonds2

About 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 44546742) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID44546742
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO/c1-22-13-18-12-19(23-2)9-10-20(18)21(14-22)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,21H,13-14H2,1-2H3
InChIKeyFZPCCSSMXFFDEE-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 44546742) is 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1.
What is the InChIKey of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FZPCCSSMXFFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-13-18-12-19(23-2)9-10-20(18)21(14-22)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,21H,13-14H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 303.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 44546742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).