4(1H)-Quinolinone, 1-methyl-2-(5Z)-5-undecen-1-yl-
PubChem CID: 5319809
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| Compound Synonyms | 4(1H)-Quinolinone, 1-methyl-2-(5Z)-5-undecen-1-yl-, 182056-11-7, (Z)-1-Methyl-2-(undec-5-en-1-yl)quinolin-4(1H)-one, 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one, 1-Methyl-2-[(Z)-5-undecenyl]-4(1H)-quinolone, CHEMBL1643834, HY-N10907, DA-60290, CS-0637524 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-[(Z)-undec-5-enyl]quinolin-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C21H29NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWKBGGZMJGQAIK-FPLPWBNLSA-N |
| Fcsp3 | 0.4761904761904761 |
| Logs | -3.224 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.049 |
| Compound Name | 4(1H)-Quinolinone, 1-methyl-2-(5Z)-5-undecen-1-yl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 311.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 311.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.160846930434783 |
| Inchi | InChI=1S/C21H29NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h7-8,12-13,15-17H,3-6,9-11,14H2,1-2H3/b8-7- |
| Smiles | CCCCC/C=C\CCCCC1=CC(=O)C2=CC=CC=C2N1C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all