3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine

C17H16N2O — CID 24957047

IUPAC3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine
SMILESCOc1cccc(-c2cc3ccc(C)cc3c(N)n2)c1
InChIInChI=1S/C17H16N2O/c1-11-6-7-12-10-16(19-17(18)15(12)8-11)13-4-3-5-14(9-13)20-2/h3-10H,1-2H3,(H2,18,19)
InChIKeyQLQFJSXPQYAZGD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.80
Rot. Bonds2

About 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine

3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine (PubChem CID 24957047) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine
PubChem CID24957047
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine
SMILESCOc1cccc(-c2cc3ccc(C)cc3c(N)n2)c1
InChIInChI=1S/C17H16N2O/c1-11-6-7-12-10-16(19-17(18)15(12)8-11)13-4-3-5-14(9-13)20-2/h3-10H,1-2H3,(H2,18,19)
InChIKeyQLQFJSXPQYAZGD-UHFFFAOYSA-N
XLogP3.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methoxyquinolin-2-amine
CID 22266820
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680
7-[[3-[2-(Dimethylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971381
7-[[3-[2-(Methylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971382
7-[[3-[(Dimethylamino)methyl]phenoxy]methyl]quinolin-2-Amine
CID 91971383
7-[[3-(Methylaminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971384
7-[[3-(Aminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971385
4-Methyl-7-({3-[(Methylamino)methyl]phenoxy}methyl)quinolin-2-Amine
CID 124136836
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[2-(Methylamino)ethyl]benzonitrile
CID 124136845
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(Methylamino)methyl]benzonitrile
CID 124136858
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2r)-2-(Methylamino)propyl]benzonitrile
CID 124136872

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine (CID 24957047) is 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine is COc1cccc(-c2cc3ccc(C)cc3c(N)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine?
The InChIKey is QLQFJSXPQYAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-6-7-12-10-16(19-17(18)15(12)8-11)13-4-3-5-14(9-13)20-2/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine?
3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine has a molecular weight of 264.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-methylisoquinolin-1-amine is sourced from PubChem (CID 24957047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).