7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C23H23NO — CID 11602362

IUPAC7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc(-c2ccc3c(c2)CN(C)CC3c2ccccc2)c1
InChIInChI=1S/C23H23NO/c1-24-15-20-13-19(18-9-6-10-21(14-18)25-2)11-12-22(20)23(16-24)17-7-4-3-5-8-17/h3-14,23H,15-16H2,1-2H3
InChIKeyLBIQOWRJOFDARZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.94
Rot. Bonds3

About 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 11602362) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID11602362
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc(-c2ccc3c(c2)CN(C)CC3c2ccccc2)c1
InChIInChI=1S/C23H23NO/c1-24-15-20-13-19(18-9-6-10-21(14-18)25-2)11-12-22(20)23(16-24)17-7-4-3-5-8-17/h3-14,23H,15-16H2,1-2H3
InChIKeyLBIQOWRJOFDARZ-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 11602362) is 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is COc1cccc(-c2ccc3c(c2)CN(C)CC3c2ccccc2)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is LBIQOWRJOFDARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-24-15-20-13-19(18-9-6-10-21(14-18)25-2)11-12-22(20)23(16-24)17-7-4-3-5-8-17/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 329.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11602362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).