N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide

C19H30IN3O3 — CID 111269752

IUPACN-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCO1)N1CCc2cc(OC)c(OC)cc2C1.I
InChIInChI=1S/C19H29N3O3.HI/c1-4-20-19(21-12-16-6-5-9-25-16)22-8-7-14-10-17(23-2)18(24-3)11-15(14)13-22;/h10-11,16H,4-9,12-13H2,1-3H3,(H,20,21);1H
InChIKeyDGDYJMCHHOERSH-UHFFFAOYSA-N
MW475.37 g/mol
LogP2.82
Rot. Bonds5

About N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide

N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide (PubChem CID 111269752) has the molecular formula C19H30IN3O3 and a molecular weight of 475.37 g/mol. Its IUPAC name is N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
PubChem CID111269752
Molecular FormulaC19H30IN3O3
Molecular Weight475.37 g/mol
Exact Mass475.13
IUPAC NameN-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCO1)N1CCc2cc(OC)c(OC)cc2C1.I
InChIInChI=1S/C19H29N3O3.HI/c1-4-20-19(21-12-16-6-5-9-25-16)22-8-7-14-10-17(23-2)18(24-3)11-15(14)13-22;/h10-11,16H,4-9,12-13H2,1-3H3,(H,20,21);1H
InChIKeyDGDYJMCHHOERSH-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide 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

N-ethyl-6,7-dimethoxy-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269073
N-ethyl-6,7-dimethoxy-N'-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269786
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269154
N-ethyl-6,7-dimethoxy-N'-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269933
N-ethyl-6,7-dimethoxy-N'-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269919
N-ethyl-N'-(2-ethylsulfonylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269480
2-cyclopentyl-N-[2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(ethylamino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111269618
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269766
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269203
N-ethyl-6,7-dimethoxy-N'-(5-methoxypentyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269719
N-ethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269822
N-[2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111269125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide (CID 111269752) is N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide is CCN/C(=N\CC1CCCO1)N1CCc2cc(OC)c(OC)cc2C1.I.
What is the InChIKey of N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?
The InChIKey is DGDYJMCHHOERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.HI/c1-4-20-19(21-12-16-6-5-9-25-16)22-8-7-14-10-17(23-2)18(24-3)11-15(14)13-22;/h10-11,16H,4-9,12-13H2,1-3H3,(H,20,21);1H.
What are the key properties of N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?
N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide has a molecular weight of 475.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-dimethoxy-N'-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111269752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).