1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide

C15H19N3O3 — CID 62160545

IUPAC1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
SMILESCOCCOCCNC(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O3/c1-20-8-9-21-7-6-17-15(19)13-10-11-4-2-3-5-12(11)14(16)18-13/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyKZAQZUNSDBLSAN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.21
Rot. Bonds7

About 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide

1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide (PubChem CID 62160545) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
PubChem CID62160545
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
SMILESCOCCOCCNC(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O3/c1-20-8-9-21-7-6-17-15(19)13-10-11-4-2-3-5-12(11)14(16)18-13/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyKZAQZUNSDBLSAN-UHFFFAOYSA-N
XLogP1.21
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 62156009
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
CID 70688451
6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-2-carboxamide
CID 62237016
1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 55043674
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 62156475

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide (CID 62160545) is 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide is COCCOCCNC(=O)c1cc2ccccc2c(N)n1.
What is the InChIKey of 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide?
The InChIKey is KZAQZUNSDBLSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-8-9-21-7-6-17-15(19)13-10-11-4-2-3-5-12(11)14(16)18-13/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide?
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 62160545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).