9-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
PubChem CID: 102369825
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| Compound Synonyms | 9-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one, 261948-33-8, 9-Methoxy-5-methyl-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one, CHEMBL4062519, DTXSID601182803 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 44.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | SSJVLBBMZMJFSN-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 9-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.28 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-methoxy-3-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.9340608 |
| Inchi | InChI=1S/C16H12N2O2/c1-9-7-13-15-12(5-6-17-13)11-4-3-10(20-2)8-14(11)18(15)16(9)19/h3-8H,1-2H3 |
| Smiles | CC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC |
| Xlogp | 2.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H12N2O2 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Nigellastrum (Plant) Rel Props:Source_db:cmaup_ingredients