4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzaldehyde

HCID 11670622
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Basic information

Standard SMILES
O=Cc1ccc(-c2ccc3ncnc(Nc4ccc5c(ccn5S(=O)(=O)c5ccccc5)c4)c3c2)cc1
InChIKey
ZBWVAOBOJDWGGR-UHFFFAOYSA-N
Molecular formula
C29H20N4O3S
Average molar mass
504.6 g/mol
Monoisotopic mass
504.12561169

Names & identifiers

Preferred name
4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzaldehyde
IUPAC
4-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]benzaldehyde

Names & synonyms

SCHEMBL6300467ZBWVAOBOJDWGGR-UHFFFAOYSA-N4-[4-(1-Benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-benzaldehyde

Database identifiers

PubChem CID
11670622

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
37

Related reactions

6 records
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Compound notes

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