| CAS Number | 97457-31-3 |
| Catalog Number | AG01E9GV |
| Chemical Name | Qingdainone |
| IUPAC Name | (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one |
| InChI | InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+ |
| InChI Key | DXENDDMPDZMHSQ-FMQUCBEESA-N |
| MDL Number | MFCD01745316 |
| Molecular Formula | C23H13N3O2 |
| Molecular Weight | 363.3682 |
| SMILES | O=C1C(NC2=CC=CC=C12)=C1C2=CC=CC=C2N2C1=NC1=CC=CC=C1C2=O |
| Synonyms | qingdainone,
Qingdainone,
97457-31-3,
AC1MHZVM,
CHEMBL375647,
SCHEMBL18137711,
BDBM50195875,
ZINC101100339,
(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one,
Indolo(2,1-b)quinazolin-12(6H)-one, 6-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-,
CID3035728,
NSC-600586,
|
| Complexity | 785 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 363.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.376g/mol |
| Monoisotopic Mass | 363.101g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number