9-fluoro-5-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

HCID 67316701
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Basic information

Standard SMILES
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c2nc3ccc(F)cc3c(=O)n12
InChIKey
YBVAKHDRWTTWJK-UHFFFAOYSA-N
Molecular formula
C34H34FN7O4S
Average molar mass
655.7 g/mol

Names & identifiers

Preferred name
9-fluoro-5-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one
IUPAC
5-fluoro-17-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)anilino]-14-(4-methylphenyl)sulfonyl-1,9,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,9,11(15),12,16-heptaen-2-one

Names & synonyms

SCHEMBL2206516YBVAKHDRWTTWJK-UHFFFAOYSA-N9-fluoro-5-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

Database identifiers

PubChem CID
67316701

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
120 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
47

Related reactions

1 records
New reaction record

Compound notes

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