Basic information
- Standard SMILES
COc1cc2c(cc1Nc1nc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c3nc4cccc(F)c4c(=O)n13)N(C(=O)[C@H]1CCCN1C)CC2- InChIKey
FNRPZZQEUOOSAQ-HHHXNRCGSA-N- Molecular formula
- C35H32FN7O5S
- Average molar mass
- 681.7 g/mol
Names & identifiers
- Preferred name
- 8-fluoro-5-{[5-(methyloxy)-1-(1-methyl-D-prolyl)-2,3-dihydro-1H-indol-6-yl]amino}-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one
- IUPAC
- 4-fluoro-17-[[5-methoxy-1-[(2R)-1-methylpyrrolidine-2-carbonyl]-2,3-dihydroindol-6-yl]amino]-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
SCHEMBL2203917FNRPZZQEUOOSAQ-HHHXNRCGSA-N8-fluoro-5-{[5-(methyloxy)-1-(1-methyl-D-prolyl)-2,3-dihydro-1H-indol-6-yl]amino}-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one
Database identifiers
- PubChem CID
- 67315917
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
2 records
Compound notes
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