2-Anilino-4-phenylimino-naphthalen-1-one
PubChem CID: 344133
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| Compound Synonyms | 2-anilino-4-phenylimino-naphthalen-1-one, 21720-68-3, NSC400864, SCHEMBL7913479, SCHEMBL7915524, STL434843, AKOS037480508, NSC-400864, DS-012956, 2-anilino-4-(phenylimino)naphthalen-1(4h)-one, 2-ANILINO-4-(PHENYLIMINO)-1(4H)-NAPHTHALENONE, (4E)-2-(phenylamino)-4-(phenylimino)naphthalen-1(4H)-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C(CC2CCCCC2)CC(CC2CCCCC2)C2CCCCC12 |
| Deep Smiles | O=CC=C/C=Ncccccc6)))))))/cc6cccc6))))))))Ncccccc6 |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1C(NC2CCCCC2)CC(NC2CCCCC2)C2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-anilino-4-phenyliminonaphthalen-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H16N2O |
| Scaffold Graph Node Bond Level | O=C1C(Nc2ccccc2)=CC(=Nc2ccccc2)c2ccccc21 |
| Inchi Key | QOTVFAGFCXDHJR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | lutinine |
| Esol Class | Moderately soluble |
| Functional Groups | c/N=C1C=C(Nc)C(=O)cc1 |
| Compound Name | 2-Anilino-4-phenylimino-naphthalen-1-one |
| Exact Mass | 324.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 324.4 |
| 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/C22H16N2O/c25-22-19-14-8-7-13-18(19)20(23-16-9-3-1-4-10-16)15-21(22)24-17-11-5-2-6-12-17/h1-15,24H |
| Smiles | C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Reseda Luteola (Plant) Rel Props:Reference:ISBN:9788185042084