| Identification | Back Directory | [Name]
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, (3E)- | [CAS]
189316-00-5 | [Synonyms]
isaindigotone
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, (3E)- | [Molecular Formula]
C20H18N2O4 | [MOL File]
189316-00-5.mol | [Molecular Weight]
350.37 |
| Chemical Properties | Back Directory | [Melting point ]
248-249 °C | [Boiling point ]
561.7±60.0 °C(Predicted) | [density ]
1.33±0.1 g/cm3(Predicted) | [pka]
9.70±0.40(Predicted) | [InChI]
InChI=1S/C20H18N2O4/c1-25-16-10-12(11-17(26-2)18(16)23)9-13-7-8-22-19(13)21-15-6-4-3-5-14(15)20(22)24/h3-6,9-11,23H,7-8H2,1-2H3/b13-9+ | [InChIKey]
UBCUTNIGHUVICE-UKTHLTGXSA-N | [SMILES]
N1C2=C(C=CC=C2)C(=O)N2CC/C(=C\C3=CC(OC)=C(O)C(OC)=C3)/C=12 |
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