5H-Quinindoline, 5-methyl-
PubChem CID: 390526
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| Compound Synonyms | NEOCRYPTOLEPINE, 114414-78-7, 5-methylindolo[2,3-b]quinoline, 5H-Quinindoline, 5-methyl-, 5H-Quinodoline, 5-methyl-, 5-Methyl-5H-quinindoline, NSC-687967, CHEMBL465591, NSC687967, CHEMBL115585, SCHEMBL1833360, DTXSID90150720, GLXC-03779, EX-A5436, BDBM50412204, HY-E70250, NSC831724, 5-methyl-5h-indolo[2,3-b]quinoline, NSC-831724, NCI60_031751, NCI60_031752, CS-1010729 |
|---|---|
| Topological Polar Surface Area | 17.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05227 |
| Iupac Name | 5-methylindolo[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H12N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PZIIKMBOSNKNFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.781 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.606 |
| Compound Name | 5H-Quinindoline, 5-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 232.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.461262088888889 |
| Inchi | InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)17-16(13)18/h2-10H,1H3 |
| Smiles | CN1C2=CC=CC=C2C=C3C1=NC4=CC=CC=C43 |
| 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