1,3-dibenzyl-7-methoxyisoquinoline

C24H21NO — CID 141360236

IUPAC1,3-dibenzyl-7-methoxyisoquinoline
SMILESCOc1ccc2cc(Cc3ccccc3)nc(Cc3ccccc3)c2c1
InChIInChI=1S/C24H21NO/c1-26-22-13-12-20-16-21(14-18-8-4-2-5-9-18)25-24(23(20)17-22)15-19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3
InChIKeyUKEBMFXLUBTTSD-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.43
Rot. Bonds5

About 1,3-dibenzyl-7-methoxyisoquinoline

1,3-dibenzyl-7-methoxyisoquinoline (PubChem CID 141360236) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 1,3-dibenzyl-7-methoxyisoquinoline.

Molecular Properties

Compound Name1,3-dibenzyl-7-methoxyisoquinoline
PubChem CID141360236
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name1,3-dibenzyl-7-methoxyisoquinoline
SMILESCOc1ccc2cc(Cc3ccccc3)nc(Cc3ccccc3)c2c1
InChIInChI=1S/C24H21NO/c1-26-22-13-12-20-16-21(14-18-8-4-2-5-9-18)25-24(23(20)17-22)15-19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3
InChIKeyUKEBMFXLUBTTSD-UHFFFAOYSA-N
XLogP5.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibenzyl-7-(bromomethoxy)isoquinoline
CID 141360263
1,2-dibenzyl-7-methoxynaphthalene
CID 174540478
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide
CID 70662806
7-methoxy-1-methyl-3-phenylnaphthalene
CID 53497213
2-benzyl-5-methoxyaniline;ethane
CID 142463807
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
9-chloro-2-methoxyanthracene
CID 139968553
1-ethyl-7-methoxyisoquinoline
CID 119092688
6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline
CID 176664892
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-7-methoxyisoquinoline?
The IUPAC name of 1,3-dibenzyl-7-methoxyisoquinoline (CID 141360236) is 1,3-dibenzyl-7-methoxyisoquinoline.
What is the SMILES notation for 1,3-dibenzyl-7-methoxyisoquinoline?
The canonical SMILES for 1,3-dibenzyl-7-methoxyisoquinoline is COc1ccc2cc(Cc3ccccc3)nc(Cc3ccccc3)c2c1.
What is the InChIKey of 1,3-dibenzyl-7-methoxyisoquinoline?
The InChIKey is UKEBMFXLUBTTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-26-22-13-12-20-16-21(14-18-8-4-2-5-9-18)25-24(23(20)17-22)15-19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3.
What are the key properties of 1,3-dibenzyl-7-methoxyisoquinoline?
1,3-dibenzyl-7-methoxyisoquinoline has a molecular weight of 339.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-7-methoxyisoquinoline is sourced from PubChem (CID 141360236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).