5,9-dimethoxy-6-(methylamino)-7H-dibenzo[de,h]quinolin-7-one
PubChem CID: 640928
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| Compound Synonyms | 5,9-dimethoxy-6-(methylamino)-7H-dibenzo[de,h]quinolin-7-one, 5,11-dimethoxy-10-(methylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one, Daurioxoisoporphine C, Daurioxoisoaporphine C, CHEMBL1651051, 7H-dibenzo[de,h]quinolin-7-one, 5,9-dimethoxy-6-(methylamino)-, InChI=1/C19H16N2O3/c1-20-18-14(24-3)8-10-6-7-21-17-12-5-4-11(23-2)9-13(12)19(22)16(18)15(10)17/h4-9,20H,1-3H |
|---|---|
| Topological Polar Surface Area | 60.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,11-dimethoxy-10-(methylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C19H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRFCNSUMOFQEFS-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -6.518 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.025 |
| Compound Name | 5,9-dimethoxy-6-(methylamino)-7H-dibenzo[de,h]quinolin-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.483990933333334 |
| Inchi | InChI=1S/C19H16N2O3/c1-20-18-14(24-3)8-10-6-7-21-17-12-5-4-11(23-2)9-13(12)19(22)16(18)15(10)17/h4-9,20H,1-3H3 |
| Smiles | CNC1=C(C=C2C=CN=C3C2=C1C(=O)C4=C3C=CC(=C4)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients