5-Methyl-11-propan-2-ylindolo[3,2-b]quinoline
PubChem CID: 10731055
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL172137 |
|---|---|
| Topological Polar Surface Area | 17.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-11-propan-2-ylindolo[3,2-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H18N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJPBNUIPWOHEAC-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -6.596 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.63 |
| Compound Name | 5-Methyl-11-propan-2-ylindolo[3,2-b]quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 274.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.11072301904762 |
| Inchi | InChI=1S/C19H18N2/c1-12(2)17-14-9-5-7-11-16(14)21(3)19-13-8-4-6-10-15(13)20-18(17)19/h4-12H,1-3H3 |
| Smiles | CC(C)C1=C2C(=C3C=CC=CC3=N2)N(C4=CC=CC=C41)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all