8-{4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol

HCID 9851963

Basic information

Standard SMILES
O=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4ccc(-c5ccc(CN6C7CCC6CC(O)C7)cc5)cc34)ccc21
InChIKey
CVJSWLMXPWFINH-UHFFFAOYSA-N
Molecular formula
C36H33N5O3S
Average molar mass
615.7 g/mol

Names & identifiers

Preferred name
8-{4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol
IUPAC
8-[[4-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

Names & synonyms

SCHEMBL6308480CVJSWLMXPWFINH-UHFFFAOYSA-N8-{4-[4-(1 -Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol8-{4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzyl}-8-aza-bicyclo[3.2.1]octan-3-ol

Database identifiers

PubChem CID
9851963

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
45

Related reactions

3 records

Compound notes

Loading…