3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline

C23H19NO — CID 122403203

IUPAC3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
SMILESCOc1ccc(-c2ncc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO/c1-16-7-9-17(10-8-16)22-21-6-4-3-5-19(21)15-24-23(22)18-11-13-20(25-2)14-12-18/h3-15H,1-2H3
InChIKeyFUNRLKLRXJWTGI-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.89
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline

3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline (PubChem CID 122403203) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
PubChem CID122403203
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
SMILESCOc1ccc(-c2ncc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO/c1-16-7-9-17(10-8-16)22-21-6-4-3-5-19(21)15-24-23(22)18-11-13-20(25-2)14-12-18/h3-15H,1-2H3
InChIKeyFUNRLKLRXJWTGI-UHFFFAOYSA-N
XLogP5.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
[3-(4-methoxyphenyl)isoquinolin-4-yl] 4-methoxybenzenesulfonate
CID 102229164
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
N-tert-butyl-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 122214708
3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
CID 177422470
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline?
The IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline (CID 122403203) is 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline is COc1ccc(-c2ncc3ccccc3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline?
The InChIKey is FUNRLKLRXJWTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-16-7-9-17(10-8-16)22-21-6-4-3-5-19(21)15-24-23(22)18-11-13-20(25-2)14-12-18/h3-15H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline?
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline has a molecular weight of 325.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline is sourced from PubChem (CID 122403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).