2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C15H20N4O2 — CID 103963088

IUPAC2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-19(10-14(20)17-7-8-21-2)15-11-5-3-4-6-13(11)18-9-12(15)16/h3-6,9H,7-8,10,16H2,1-2H3,(H,17,20)
InChIKeyULTGXVMMNPJBFA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.02
Rot. Bonds6

About 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 103963088) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID103963088
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-19(10-14(20)17-7-8-21-2)15-11-5-3-4-6-13(11)18-9-12(15)16/h3-6,9H,7-8,10,16H2,1-2H3,(H,17,20)
InChIKeyULTGXVMMNPJBFA-UHFFFAOYSA-N
XLogP1.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.02
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

2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622
4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide
CID 10514551
4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
CID 103962995
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
CID 103963108
2-[2-(2-aminophenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62495396
2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80638047

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 103963088) is 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1c(N)cnc2ccccc12.
What is the InChIKey of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ULTGXVMMNPJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(10-14(20)17-7-8-21-2)15-11-5-3-4-6-13(11)18-9-12(15)16/h3-6,9H,7-8,10,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103963088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).