2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide

C15H20N4O — CID 103137754

IUPAC2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc(N)c2ccncc12
InChIInChI=1S/C15H20N4O/c1-3-18-15(20)10-19(4-2)14-6-5-13(16)11-7-8-17-9-12(11)14/h5-9H,3-4,10,16H2,1-2H3,(H,18,20)
InChIKeyOIRLNBBSAHWOAT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds5

About 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide

2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide (PubChem CID 103137754) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
PubChem CID103137754
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc(N)c2ccncc12
InChIInChI=1S/C15H20N4O/c1-3-18-15(20)10-19(4-2)14-6-5-13(16)11-7-8-17-9-12(11)14/h5-9H,3-4,10,16H2,1-2H3,(H,18,20)
InChIKeyOIRLNBBSAHWOAT-UHFFFAOYSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide (CID 103137754) is 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1ccc(N)c2ccncc12.
What is the InChIKey of 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is OIRLNBBSAHWOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-18-15(20)10-19(4-2)14-6-5-13(16)11-7-8-17-9-12(11)14/h5-9H,3-4,10,16H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide?
2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 103137754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).