3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine

C24H22N2O2 — CID 177422470

IUPAC3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
SMILESCOc1ccc(-c2nc(N)c3cc(C)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-15-4-13-20-21(14-15)24(25)26-23(17-7-11-19(28-3)12-8-17)22(20)16-5-9-18(27-2)10-6-16/h4-14H,1-3H3,(H2,25,26)
InChIKeyANFPMWVCJHMFBX-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.48
Rot. Bonds4

About 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine

3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine (PubChem CID 177422470) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
PubChem CID177422470
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
SMILESCOc1ccc(-c2nc(N)c3cc(C)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-15-4-13-20-21(14-15)24(25)26-23(17-7-11-19(28-3)12-8-17)22(20)16-5-9-18(27-2)10-6-16/h4-14H,1-3H3,(H2,25,26)
InChIKeyANFPMWVCJHMFBX-UHFFFAOYSA-N
XLogP5.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
CID 143290184
2-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983774
7-methoxy-3-(4-methoxyphenyl)-4-nitroisoquinolin-1-amine
CID 67404437
1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline
CID 101082516
5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 177413638
8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine
CID 177471706
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
1-(113C)methoxy-4-methylbenzene
CID 166176950
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine (CID 177422470) is 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine is COc1ccc(-c2nc(N)c3cc(C)ccc3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine?
The InChIKey is ANFPMWVCJHMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-15-4-13-20-21(14-15)24(25)26-23(17-7-11-19(28-3)12-8-17)22(20)16-5-9-18(27-2)10-6-16/h4-14H,1-3H3,(H2,25,26).
What are the key properties of 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine?
3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine has a molecular weight of 370.45 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine is sourced from PubChem (CID 177422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).