4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine

C33H32N2O2 — CID 142740519

IUPAC4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
SMILESCOc1cccc(CCNc2nc(-c3cccc(C)c3)c(-c3cccc(OC)c3)c3cc(C)ccc23)c1
InChIInChI=1S/C33H32N2O2/c1-22-8-5-11-26(18-22)32-31(25-10-7-13-28(21-25)37-4)30-19-23(2)14-15-29(30)33(35-32)34-17-16-24-9-6-12-27(20-24)36-3/h5-15,18-21H,16-17H2,1-4H3,(H,34,35)
InChIKeyNQNRMDYKHYPOMV-UHFFFAOYSA-N
MW488.63 g/mol
LogP7.86
Rot. Bonds8

About 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine

4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine (PubChem CID 142740519) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
PubChem CID142740519
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC Name4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
SMILESCOc1cccc(CCNc2nc(-c3cccc(C)c3)c(-c3cccc(OC)c3)c3cc(C)ccc23)c1
InChIInChI=1S/C33H32N2O2/c1-22-8-5-11-26(18-22)32-31(25-10-7-13-28(21-25)37-4)30-19-23(2)14-15-29(30)33(35-32)34-17-16-24-9-6-12-27(20-24)36-3/h5-15,18-21H,16-17H2,1-4H3,(H,34,35)
InChIKeyNQNRMDYKHYPOMV-UHFFFAOYSA-N
XLogP7.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(3-methoxyphenyl)-6-methyl-3-(2-methylphenyl)isoquinolin-1-amine
CID 142740524
1-chloro-3-(2,6-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylisoquinoline
CID 154487575
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
1-(3-methoxyphenyl)-7-methylnaphthalene
CID 59399527
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107850992
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine (CID 142740519) is 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine is COc1cccc(CCNc2nc(-c3cccc(C)c3)c(-c3cccc(OC)c3)c3cc(C)ccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
The InChIKey is NQNRMDYKHYPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-22-8-5-11-26(18-22)32-31(25-10-7-13-28(21-25)37-4)30-19-23(2)14-15-29(30)33(35-32)34-17-16-24-9-6-12-27(20-24)36-3/h5-15,18-21H,16-17H2,1-4H3,(H,34,35).
What are the key properties of 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine has a molecular weight of 488.63 g/mol, XLogP of 7.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-3-(3-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 142740519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).