Benzo(c)(2,7)naphthyridin-4(3H)-one
PubChem CID: 5748566
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| Compound Synonyms | Perlolidine, 7344-61-8, 3H-benzo[f][2,7]naphthyridin-4-one, Benzo(c)(2,7)naphthyridin-4(3H)-one, DTXSID50223666, 3H-benzo(f)(2,7)naphthyridin-4-one, CHEMBL4162200, DTXCID80146157, NSC756043, NSC-756043 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C1CCC1CCCCC12 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | O=c[nH]cccc6cncc6cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1NCCC2C1CNC1CCCCC12 |
| Classyfire Subclass | Naphthyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3H-benzo[f][2,7]naphthyridin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H8N2O |
| Scaffold Graph Node Bond Level | O=c1[nH]ccc2c1cnc1ccccc12 |
| Inchi Key | ULIAUQBOGQCMQM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | perlolidine |
| Esol Class | Soluble |
| Functional Groups | c=O, c[nH]c, cnc |
| Compound Name | Benzo(c)(2,7)naphthyridin-4(3H)-one |
| Exact Mass | 196.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.064 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.2 |
| 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 |
| Inchi | InChI=1S/C12H8N2O/c15-12-10-7-14-11-4-2-1-3-9(11)8(10)5-6-13-12/h1-7H,(H,13,15) |
| Smiles | C1=CC=C2C(=C1)C3=C(C=N2)C(=O)NC=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Lolium Perenne (Plant) Rel Props:Reference:ISBN:9788185042053