4-Methoxy-3-[(quinolin-8-yloxy)methyl]benzaldehyde
PubChem CID: 590877
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| Compound Synonyms | 4-methoxy-3-[(quinolin-8-yloxy)methyl]benzaldehyde, 438530-70-2, 4-methoxy-3-(quinolin-8-yloxymethyl)benzaldehyde, 4-Methoxy-3-((quinolin-8-yloxy)methyl)benzaldehyde, MFCD01114945, Oprea1_688137, KAIREKLWZOZJFY-UHFFFAOYSA-N, ALBB-001083, BBL016086, STK315871, AKOS000304059, SB68928, VS-05132, CS-0215159, EN300-227636, G21172, Benzaldehyde, 4-methoxy-3-(8-quinolinyloxymethyl)-, 4-Methoxy-3-[(8-quinolinyloxy)methyl]benzaldehyde #, 4-METHOXY-3-[(8-QUINOLYLOXY)METHYL]BENZALDEHYDE, Z275169808 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 48.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCC3CCCCC32)CC1 |
| Deep Smiles | COcccccc6COcccccc6nccc6))))))))))))))C=O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC(COC2CCCC3CCCNC32)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-3-(quinolin-8-yloxymethyl)benzaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H15NO3 |
| Scaffold Graph Node Bond Level | c1ccc(COc2cccc3cccnc23)cc1 |
| Inchi Key | KAIREKLWZOZJFY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 4-methoxy-3-(8-quinolinyloxy-methyl)benzaldehyde |
| Esol Class | Soluble |
| Functional Groups | cC=O, cOC, cnc |
| Compound Name | 4-Methoxy-3-[(quinolin-8-yloxy)methyl]benzaldehyde |
| Exact Mass | 293.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 293.3 |
| 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/C18H15NO3/c1-21-16-8-7-13(11-20)10-15(16)12-22-17-6-2-4-14-5-3-9-19-18(14)17/h2-11H,12H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)C=O)COC2=CC=CC3=C2N=CC=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975