4-(P-(Dimethylamino)styryl)quinoline monohydrochloride
PubChem CID: 6538066
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | LBL0NW0IYG, NSC-10482, 32948-63-3, 4-(P-(DIMETHYLAMINO)STYRYL)QUINOLINE MONOHYDROCHLORIDE, NSC-63346, 4-(p-Dimethylaminostyryl)quinoline monohydrochloride, Quinoline, 4-(p-(dimethylamino)styryl)-, monohydrochloride, 4M2O Cl2, SCHEMBL2681345, CHEMBL1979913, 21970-53-6, 4M20 CL2, NSC10482, BENZENAMINE, N,N-DIMETHYL-4-(2-(4-QUINOLINYL)ETHENYL)-, HYDROCHLORIDE (1:1) |
|---|---|
| Topological Polar Surface Area | 16.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C19H19ClN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMENITNYNPMFHY-HCUGZAAXSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -4.663 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.983 |
| Compound Name | 4-(P-(Dimethylamino)styryl)quinoline monohydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.124 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.124 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.534515418181818 |
| Inchi | InChI=1S/C19H18N2.ClH/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19, /h3-14H,1-2H3, 1H/b10-7+, |
| Smiles | CN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23.Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriaria Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all