7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

HCID 49779705
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Basic information

Standard SMILES
CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)Nc3ccc(Oc5ccccc5)cc3)CC4)nc(N)n2)CC1
InChIKey
IHCOTUSWMXHFJQ-UHFFFAOYSA-N
Molecular formula
C31H33N7O2
Average molar mass
535.6 g/mol

Names & identifiers

Preferred name
7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
IUPAC
7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Names & synonyms

SCHEMBL2804554IHCOTUSWMXHFJQ-UHFFFAOYSA-N7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

Database identifiers

PubChem CID
49779705

Properties

Computed structural properties

XLogP
4
Topological polar surface area
99.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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