7-methoxy-1-quinolin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID: 137633150
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| Compound Synonyms | CHEMBL4065385 |
|---|---|
| Topological Polar Surface Area | 50.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 521.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-1-quinolin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C21H17N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BDGASTZSTNOGFJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.721 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.281 |
| Compound Name | 7-methoxy-1-quinolin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.820199400000001 |
| Inchi | InChI=1S/C21H17N3O/c1-25-15-6-7-16-17-8-9-22-20(21(17)24-19(16)11-15)14-10-13-4-2-3-5-18(13)23-12-14/h2-7,10-12,24H,8-9H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C(=NCC3)C4=CC5=CC=CC=C5N=C4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients