1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide

C15H19N3O3 — CID 106772798

IUPAC1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
SMILESCOCCN(CCO)C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-21-9-7-18(6-8-19)15(20)13-10-17-14(16)12-5-3-2-4-11(12)13/h2-5,10,19H,6-9H2,1H3,(H2,16,17)
InChIKeyNDAXTBJAKBMLHF-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.90
Rot. Bonds6

About 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide

1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide (PubChem CID 106772798) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
PubChem CID106772798
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
SMILESCOCCN(CCO)C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-21-9-7-18(6-8-19)15(20)13-10-17-14(16)12-5-3-2-4-11(12)13/h2-5,10,19H,6-9H2,1H3,(H2,16,17)
InChIKeyNDAXTBJAKBMLHF-UHFFFAOYSA-N
XLogP0.90
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-(2-hydroxyethyl)-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

1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
1-amino-N-(3-hydroxypropyl)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106771545
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
CID 106771901
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 113468052
1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
CID 106770496
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106771439

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide (CID 106772798) is 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide is COCCN(CCO)C(=O)c1cnc(N)c2ccccc12.
What is the InChIKey of 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The InChIKey is NDAXTBJAKBMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-9-7-18(6-8-19)15(20)13-10-17-14(16)12-5-3-2-4-11(12)13/h2-5,10,19H,6-9H2,1H3,(H2,16,17).
What are the key properties of 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106772798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).