N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine

C19H20N2O4 — CID 156575619

IUPACN-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1ccc(Nc2nccc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-15-6-5-13(10-17(15)24-3)21-19-14-11-18(25-4)16(23-2)9-12(14)7-8-20-19/h5-11H,1-4H3,(H,20,21)
InChIKeyISKOSFBWEQZDAX-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.01
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine

N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine (PubChem CID 156575619) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
PubChem CID156575619
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1ccc(Nc2nccc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-15-6-5-13(10-17(15)24-3)21-19-14-11-18(25-4)16(23-2)9-12(14)7-8-20-19/h5-11H,1-4H3,(H,20,21)
InChIKeyISKOSFBWEQZDAX-UHFFFAOYSA-N
XLogP4.01
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-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

(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine
CID 106539080
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
N-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435174
N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide
CID 169148235
6,7-dimethoxy-1-methylisoquinoline
CID 20725
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70165713
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]ethylurea
CID 106539333
1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
CID 106543554

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine (CID 156575619) is N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine is COc1ccc(Nc2nccc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine?
The InChIKey is ISKOSFBWEQZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-15-6-5-13(10-17(15)24-3)21-19-14-11-18(25-4)16(23-2)9-12(14)7-8-20-19/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine?
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine has a molecular weight of 340.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine is sourced from PubChem (CID 156575619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).