2-Quinazolinamine, 3,4-dihydro-N,3-diphenyl-4-(phenylimino)-
PubChem CID: 633611
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | DMFNWGGFAUOVDO-IMVLJIQESA-N, 2-Quinazolinamine, 3,4-dihydro-N,3-diphenyl-4-(phenylimino)-, Quinazoline, 2-anilino-3,4-dihydro-3-phenyl-4-(phenylimino)-, (4E)-N,3-Diphenyl-4-(phenylimino)-3,4-dihydro-2-quinazolinamine # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CC3CCCCC3C(CC3CCCCC3)C2C2CCCCC2)CC1 |
| Deep Smiles | cccccc6))Nccccccc6n/c=Ncccccc6)))))))/n%10cccccc6 |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | C1CCC(NC2NC3CCCCC3C(NC3CCCCC3)N2C2CCCCC2)CC1 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 754.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,3-diphenyl-2-phenyliminoquinazolin-4-amine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 6.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H20N4 |
| Scaffold Graph Node Bond Level | c1ccc(N=c2nc3ccccc3c(Nc3ccccc3)n2-c2ccccc2)cc1 |
| Inchi Key | IQIMLHUCXRFYBP-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3,4-dihydro-n,3-diphenyl-4-(phenylimino)-2-quinazolinamine |
| Esol Class | Poorly soluble |
| Functional Groups | c-n(c)c, c/N=c, cNc, cnc |
| Compound Name | 2-Quinazolinamine, 3,4-dihydro-N,3-diphenyl-4-(phenylimino)- |
| Exact Mass | 388.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.169 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 388.5 |
| 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/C26H20N4/c1-4-12-20(13-5-1)27-25-23-18-10-11-19-24(23)29-26(28-21-14-6-2-7-15-21)30(25)22-16-8-3-9-17-22/h1-19,27H |
| Smiles | C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC(=NC4=CC=CC=C4)N2C5=CC=CC=C5 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965