5-Methylindolo[3,2-c]quinoline
PubChem CID: 380925
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| Compound Synonyms | isocryptolepine, 5-methylindolo[3,2-c]quinoline, 5-methyl-5H-indolo[3,2-c]quinoline, CHEMBL502768, crytosanguinolentine, NSC666709, 5H-indolo[3,2-c]quinoline, 5-methyl-, 165467-65-2, CHEMBL596333, SCHEMBL9390637, DTXSID601296862, BDBM50412203, NSC-666709, NCI60_023278, InChI=1/C16H12N2/c1-18-10-13-11-6-2-4-8-14(11)17-16(13)12-7-3-5-9-15(12)18/h2-10H,1H |
|---|---|
| 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 | n.a. |
| Iupac Name | 5-methylindolo[3,2-c]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H12N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLYLOCYYFNTVGX-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.977 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.701 |
| Compound Name | 5-Methylindolo[3,2-c]quinoline |
| 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 | -4.253362088888888 |
| Inchi | InChI=1S/C16H12N2/c1-18-10-13-11-6-2-4-8-14(11)17-16(13)12-7-3-5-9-15(12)18/h2-10H,1H3 |
| Smiles | CN1C=C2C3=CC=CC=C3N=C2C4=CC=CC=C41 |
| 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