4-[4-(1-Benzyl-1H-indol-5-ylamino)-quinazolin-6-ylethynyl]-1-methyl-piperidin-4-ol

HCID 69484684
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Basic information

Standard SMILES
CN1CCC(O)(C#Cc2ccc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c3c2)CC1
InChIKey
JNXCINAOMUUMPI-UHFFFAOYSA-N
Molecular formula
C31H29N5O
Average molar mass
487.6 g/mol

Names & identifiers

Preferred name
4-[4-(1-Benzyl-1H-indol-5-ylamino)-quinazolin-6-ylethynyl]-1-methyl-piperidin-4-ol
IUPAC
4-[2-[4-[(1-benzylindol-5-yl)amino]quinazolin-6-yl]ethynyl]-1-methylpiperidin-4-ol

Names & synonyms

SCHEMBL5552372JNXCINAOMUUMPI-UHFFFAOYSA-N4-[4-(1-Benzyl-1H-indol-5-ylamino)-quinazolin-6-ylethynyl]-1-methyl-piperidin-4-ol

Database identifiers

PubChem CID
69484684

Properties

Computed structural properties

XLogP
5
Topological polar surface area
66.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

Related reactions

1 records
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Compound notes

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