6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine

C18H18N2O3 — CID 46931244

IUPAC6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
SMILESCOc1cccc(-c2cc3cc(OC)c(OC)cc3c(N)n2)c1
InChIInChI=1S/C18H18N2O3/c1-21-13-6-4-5-11(7-13)15-8-12-9-16(22-2)17(23-3)10-14(12)18(19)20-15/h4-10H,1-3H3,(H2,19,20)
InChIKeyRVFMVCRQFPEMRL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.51
Rot. Bonds4

About 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine

6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine (PubChem CID 46931244) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
PubChem CID46931244
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
SMILESCOc1cccc(-c2cc3cc(OC)c(OC)cc3c(N)n2)c1
InChIInChI=1S/C18H18N2O3/c1-21-13-6-4-5-11(7-13)15-8-12-9-16(22-2)17(23-3)10-14(12)18(19)20-15/h4-10H,1-3H3,(H2,19,20)
InChIKeyRVFMVCRQFPEMRL-UHFFFAOYSA-N
XLogP3.51
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Moxaverine
CID 70882
Abanoquil
CID 164089
Dimoxyline
CID 21878
7-(3,4-Dimethoxyphenyl)-6-Methylquinazoline-2,4-Diamine
CID 53346506
6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine
CID 5336606
Galipine
CID 68235
2-(3',4'-Dimethoxyphenylethyl)quinoline
CID 11483233

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine?
The IUPAC name of 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine (CID 46931244) is 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine.
What is the SMILES notation for 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine?
The canonical SMILES for 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine is COc1cccc(-c2cc3cc(OC)c(OC)cc3c(N)n2)c1.
What is the InChIKey of 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine?
The InChIKey is RVFMVCRQFPEMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-21-13-6-4-5-11(7-13)15-8-12-9-16(22-2)17(23-3)10-14(12)18(19)20-15/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine?
6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine has a molecular weight of 310.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine is sourced from PubChem (CID 46931244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).