2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile

C15H18N4O — CID 83030385

IUPAC2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
SMILESCOCCNCCNc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C15H18N4O/c1-20-9-8-17-6-7-18-15-10-12(11-16)13-4-2-3-5-14(13)19-15/h2-5,10,17H,6-9H2,1H3,(H,18,19)
InChIKeyQBZHDRMCUZZPIU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile

2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile (PubChem CID 83030385) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
PubChem CID83030385
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
SMILESCOCCNCCNc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C15H18N4O/c1-20-9-8-17-6-7-18-15-10-12(11-16)13-4-2-3-5-14(13)19-15/h2-5,10,17H,6-9H2,1H3,(H,18,19)
InChIKeyQBZHDRMCUZZPIU-UHFFFAOYSA-N
XLogP1.75
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.75
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-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
2-[2-(trifluoromethylsulfanyl)ethylamino]quinoline-4-carbonitrile
CID 102809256
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
CID 104626534
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile
CID 91643069
2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
CID 106011499
2-[(4-cyanoquinolin-2-yl)amino]acetamide
CID 63883869
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
CID 63885433
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile (CID 83030385) is 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile is COCCNCCNc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile?
The InChIKey is QBZHDRMCUZZPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-9-8-17-6-7-18-15-10-12(11-16)13-4-2-3-5-14(13)19-15/h2-5,10,17H,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile?
2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 83030385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).