Quinazoline
PubChem CID: 9210
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| Compound Synonyms | QUINAZOLINE, 253-82-7, Phenmiazine, 1,3-Benzodiazine, 1,3-Diazanaphthalene, 5,6-Benzopyrimidine, Chinazolin, Benzo[a]pyrimidine, Benzopyrimidine, Benzo(a)pyrimidine, MFCD00006712, UNII-UB9QUR18NL, UB9QUR18NL, Benzo(e)pyrimidine, 4.5-Benzopyrimidine, CHEBI:36621, QUINAZOLINE [MI], EINECS 205-965-3, NSC 72372, NSC-72372, CHEMBL301359, DTXSID7075214, Quinazolines, Quinazoline 98%, NSC72372, Quinazoline, 99%, SCHEMBL5920, NCIOpen2_000549, WLN: T66 BN DNJ, BIDD:GT0070, DTXCID2037265, BDBM50049572, AKOS015900554, CS-W002010, GS-3258, PB47603, AC-18352, SY006075, DB-046688, NS00027881, Q0055, EN300-84601, AC-907/25014195, Q426278, CU-00000000401-1, Z1251332997, 205-965-3, QUZ |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | cccccc6)ncnc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | C1CCC2NCNCC2C1 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | quinazoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H6N2 |
| Scaffold Graph Node Bond Level | c1ccc2ncncc2c1 |
| Inchi Key | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | quinazoline, quinazolines |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | Quinazoline |
| Exact Mass | 130.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.053 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 130.15 |
| 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/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H |
| Smiles | C1=CC=C2C(=C1)C=NC=N2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
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