5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine

C24H22N2O3 — CID 177413638

IUPAC5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
SMILESCOc1ccc(-c2nc(N)c3cccc(OC)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-27-17-11-7-15(8-12-17)21-22-19(5-4-6-20(22)29-3)24(25)26-23(21)16-9-13-18(28-2)14-10-16/h4-14H,1-3H3,(H2,25,26)
InChIKeyUYDIWJBASPJPCU-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.18
Rot. Bonds5

About 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine

5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine (PubChem CID 177413638) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
PubChem CID177413638
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
SMILESCOc1ccc(-c2nc(N)c3cccc(OC)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-27-17-11-7-15(8-12-17)21-22-19(5-4-6-20(22)29-3)24(25)26-23(21)16-9-13-18(28-2)14-10-16/h4-14H,1-3H3,(H2,25,26)
InChIKeyUYDIWJBASPJPCU-UHFFFAOYSA-N
XLogP5.18
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine (CID 177413638) is 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine is COc1ccc(-c2nc(N)c3cccc(OC)c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine?
The InChIKey is UYDIWJBASPJPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-27-17-11-7-15(8-12-17)21-22-19(5-4-6-20(22)29-3)24(25)26-23(21)16-9-13-18(28-2)14-10-16/h4-14H,1-3H3,(H2,25,26).
What are the key properties of 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine?
5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine has a molecular weight of 386.45 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine is sourced from PubChem (CID 177413638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).