4H-Indolo[3,2,1-de][1,5]naphthyridin-4-one, 5-methoxy-
PubChem CID: 3012902
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| Compound Synonyms | CHEMBL517641, 4H-Indolo[3,2,1-de][1,5]naphthyridin-4-one, 5-methoxy- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C3CCCCC3C3CCCC1C32 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | COccncccccc6cc9cc%13=O))ncc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Indolonaphthyridine alkaloids |
| Scaffold Graph Node Level | OC1CCN2C3CCCCC3C3CCNC1C32 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10,12,14-heptaen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10N2O2 |
| Scaffold Graph Node Bond Level | O=c1ccn2c3ccccc3c3ccnc1c32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ARKHSSXCCQCKAF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.149 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.911 |
| Synonyms | drymaritin |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, cn(c)c, cnc |
| Compound Name | 4H-Indolo[3,2,1-de][1,5]naphthyridin-4-one, 5-methoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.626251294736842 |
| Inchi | InChI=1S/C15H10N2O2/c1-19-12-8-17-11-5-3-2-4-9(11)10-6-7-16-13(14(10)17)15(12)18/h2-8H,1H3 |
| Smiles | COC1=CN2C3=CC=CC=C3C4=C2C(=NC=C4)C1=O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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