2-(Chloromethyl)-2,3-dihydro-4(1H)-quinolinone
PubChem CID: 589579
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| Compound Synonyms | 2-(Chloromethyl)-2,3-dihydro-4(1H)-quinolinone, XQWCPANZPKIATM-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | ClCCCC=O)ccN6)cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCNC2CCCCC12 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(chloromethyl)-2,3-dihydro-1H-quinolin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10ClNO |
| Scaffold Graph Node Bond Level | O=C1CCNc2ccccc21 |
| Inchi Key | XQWCPANZPKIATM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-chloromethyl)-2,3-dihydro-4(1h)-quinolinone |
| Esol Class | Soluble |
| Functional Groups | CCl, cC(C)=O, cNC |
| Compound Name | 2-(Chloromethyl)-2,3-dihydro-4(1H)-quinolinone |
| Exact Mass | 195.045 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.045 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 195.64 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H10ClNO/c11-6-7-5-10(13)8-3-1-2-4-9(8)12-7/h1-4,7,12H,5-6H2 |
| Smiles | C1C(NC2=CC=CC=C2C1=O)CCl |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
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