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8-[3-[[8-(4,4-Dimethylpentan-2-yloxy)quinolin-2-yl]amino]propoxy]quinolin-2-amine

HCID 22254609
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(CC(C)(C)C)Oc1cccc2ccc(NCCCOc3cccc4ccc(N)nc34)nc12
InChIKey
MBSNSEXHXBJNEH-UHFFFAOYSA-N
Molecular formula
C28H34N4O2
Average molar mass
458.6 g/mol

Names & identifiers

Preferred name
8-[3-[[8-(4,4-Dimethylpentan-2-yloxy)quinolin-2-yl]amino]propoxy]quinolin-2-amine
IUPAC
8-[3-[[8-(4,4-dimethylpentan-2-yloxy)quinolin-2-yl]amino]propoxy]quinolin-2-amine

Names & synonyms

SCHEMBL5884566

Database identifiers

PubChem CID
22254609

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
82.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
34
Formal charge
0
Complexity
612

Related reactions

1 records
New reaction record
HRID 176495 reaction equation
HRID 176495As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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