1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide

C16H21N3O4 — CID 46847164

IUPAC1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12
InChIInChI=1S/C16H21N3O4/c1-21-5-4-18-16(20)12-9-19-13(8-17)11-7-15(23-3)14(22-2)6-10(11)12/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyODEWBJNXTFRQRR-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.09
Rot. Bonds7

About 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide

1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide (PubChem CID 46847164) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide
PubChem CID46847164
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12
InChIInChI=1S/C16H21N3O4/c1-21-5-4-18-16(20)12-9-19-13(8-17)11-7-15(23-3)14(22-2)6-10(11)12/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyODEWBJNXTFRQRR-UHFFFAOYSA-N
XLogP1.09
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide 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

5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione
CID 23829003
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
Pseudocoralyne
CID 72351
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
N-[3-(3,4-Dimethoxy-benzoylamino)-propyl]-nicotinamide
CID 6456930
2-ethyl-6,7-dimethoxy-1-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
CID 3239765
6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 5307222
3-Amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
CID 10046038
2-Amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
CID 10363113
6,7-Dimethoxy-4-(4-methoxyphenylamino)quinoline-3-carboxamide
CID 22170203
4-(2,3-Dimethylphenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170285

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide (CID 46847164) is 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide is COCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12.
What is the InChIKey of 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The InChIKey is ODEWBJNXTFRQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-21-5-4-18-16(20)12-9-19-13(8-17)11-7-15(23-3)14(22-2)6-10(11)12/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20).
What are the key properties of 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6,7-dimethoxy-N-(2-methoxyethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 46847164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).