3,4-bis(3-methoxyphenyl)isoquinoline

C23H19NO2 — CID 177415076

IUPAC3,4-bis(3-methoxyphenyl)isoquinoline
SMILESCOc1cccc(-c2ncc3ccccc3c2-c2cccc(OC)c2)c1
InChIInChI=1S/C23H19NO2/c1-25-19-10-5-8-16(13-19)22-21-12-4-3-7-18(21)15-24-23(22)17-9-6-11-20(14-17)26-2/h3-15H,1-2H3
InChIKeyWQKPRJFHMIKJHN-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.59
Rot. Bonds4

About 3,4-bis(3-methoxyphenyl)isoquinoline

3,4-bis(3-methoxyphenyl)isoquinoline (PubChem CID 177415076) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3,4-bis(3-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name3,4-bis(3-methoxyphenyl)isoquinoline
PubChem CID177415076
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name3,4-bis(3-methoxyphenyl)isoquinoline
SMILESCOc1cccc(-c2ncc3ccccc3c2-c2cccc(OC)c2)c1
InChIInChI=1S/C23H19NO2/c1-25-19-10-5-8-16(13-19)22-21-12-4-3-7-18(21)15-24-23(22)17-9-6-11-20(14-17)26-2/h3-15H,1-2H3
InChIKeyWQKPRJFHMIKJHN-UHFFFAOYSA-N
XLogP5.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
CID 89206680
CID 89206680
3-(3-methoxyphenyl)-1-methylnaphthalene
CID 59399504
3-bromo-2-(3-methoxyphenyl)quinoline
CID 71658570
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-methoxyphenyl)isoquinoline?
The IUPAC name of 3,4-bis(3-methoxyphenyl)isoquinoline (CID 177415076) is 3,4-bis(3-methoxyphenyl)isoquinoline.
What is the SMILES notation for 3,4-bis(3-methoxyphenyl)isoquinoline?
The canonical SMILES for 3,4-bis(3-methoxyphenyl)isoquinoline is COc1cccc(-c2ncc3ccccc3c2-c2cccc(OC)c2)c1.
What is the InChIKey of 3,4-bis(3-methoxyphenyl)isoquinoline?
The InChIKey is WQKPRJFHMIKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-25-19-10-5-8-16(13-19)22-21-12-4-3-7-18(21)15-24-23(22)17-9-6-11-20(14-17)26-2/h3-15H,1-2H3.
What are the key properties of 3,4-bis(3-methoxyphenyl)isoquinoline?
3,4-bis(3-methoxyphenyl)isoquinoline has a molecular weight of 341.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-methoxyphenyl)isoquinoline is sourced from PubChem (CID 177415076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).