2,6-Dimethylquinoline

PubChem CID: 13414

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Compound Synonyms	2,6-DIMETHYLQUINOLINE, 877-43-0, 6-Methylquinaldine, Quinoline, 2,6-dimethyl-, p-Toluquinaldine, 2,6-dimethyl quinoline, 2,6-Dimethyl-quinoline, UNII-KST0M1T4MB, KST0M1T4MB, MFCD00006762, NSC 1782, NSC-1782, EINECS 212-891-5, Quinoline, 2,6-dimethyl, AI3-03277, CHEMBL194502, DTXSID0044153, pToluquinaldine, 6Methylquinaldine, 26-Dimethylquinoline, 2.6-Dimethylquinoline, 26-Dimethyl-quinoline, Quinoline,6-dimethyl-, Quinoline, 2,6dimethyl, BIDD:GT0805, SCHEMBL161703, 2,6-Dimethylquinoline, 98%, DTXCID8024153, NSC1782, BBL034645, BDBM50159273, STL420576, AKOS000121619, CS-W010911, HY-W010195, SB67469, NCGC00334900-01, AS-48061, PD158272, SY016998, DB-057018, D1236, EU-0000308, NS00039217, EN300-17623, F17612, 6-Methylquinaldine, NSC 1782, p-Toluquinaldine, AB01326686-02, Q27282416, Z56969311, 212-891-5
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	12.0
Description	2,6-dimethylquinoline belongs to quinolines and derivatives class of compounds. Those are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 2,6-dimethylquinoline is practically insoluble (in water) and a very strong basic compound (based on its pKa). 2,6-dimethylquinoline can be found in tea, which makes 2,6-dimethylquinoline a potential biomarker for the consumption of this food product.
Isotope Atom Count	0.0
Molecular Complexity	155.0
Database Name	cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P05177, P11509, P20852
Iupac Name	2,6-dimethylquinoline
Prediction Hob	1.0
Target Id	NPT208, NPT240
Xlogp	3.0
Molecular Formula	C11H11N
Prediction Swissadme	0.0
Inchi Key	JJPSZKIOGBRMHK-UHFFFAOYSA-N
Fcsp3	0.1818181818181818
Logs	-2.266
Rotatable Bond Count	0.0
Logd	2.946
Synonyms	2, 6-Dimethylquinoline, 2,6-Dimethylquinoline, 6-Methylquinaldine, P-toluquinaldine, Quinoline, 2,6-dimethyl-
Compound Name	2,6-Dimethylquinoline
Prediction Hob Swissadme	0.0
Exact Mass	157.089
Formal Charge	0.0
Monoisotopic Mass	157.089
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	157.21
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-3.2899058666666665
Inchi	InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
Smiles	CC1=CC2=C(C=C1)N=C(C=C2)C
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
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5. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
7. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
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27. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
29. Outgoing r'ship FOUND_IN to/from Peucedanum Dhana (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Peucedanum Govanianum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Peucedanum Grande (Plant) Rel Props:Reference:
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33. Outgoing r'ship FOUND_IN to/from Peucedanum Japonicum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Peucedanum Longifolium (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Peucedanum Morisonii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Peucedanum Nagpurense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
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40. Outgoing r'ship FOUND_IN to/from Peucedanum Palustre (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Peucedanum Praeruptorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
42. Outgoing r'ship FOUND_IN to/from Peucedanum Rubricaule (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Peucedanum Ruthenicum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Peucedanum Stenocarpum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Peucedanum Terebinthaceum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Rhaphidophora Decursiva (Plant) Rel Props:Reference:

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2,6-Dimethylquinoline

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Phytochemical Properties

Associated Connections 46

Plant Connections 46