6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline

C15H16N3+ — CID 140917884

IUPAC6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline
SMILESCc1c(-c2n(C)cc[n+]2C)ccc2ncccc12
InChIInChI=1S/C15H16N3/c1-11-12-5-4-8-16-14(12)7-6-13(11)15-17(2)9-10-18(15)3/h4-10H,1-3H3/q+1
InChIKeyPOAKYNJKLPPXKS-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.37
Rot. Bonds1

About 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline

6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline (PubChem CID 140917884) has the molecular formula C15H16N3+ and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline.

Molecular Properties

Compound Name6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline
PubChem CID140917884
Molecular FormulaC15H16N3+
Molecular Weight238.31 g/mol
Exact Mass238.13
IUPAC Name6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline
SMILESCc1c(-c2n(C)cc[n+]2C)ccc2ncccc12
InChIInChI=1S/C15H16N3/c1-11-12-5-4-8-16-14(12)7-6-13(11)15-17(2)9-10-18(15)3/h4-10H,1-3H3/q+1
InChIKeyPOAKYNJKLPPXKS-UHFFFAOYSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylpyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-4-methylpyridine;4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylpyridine;4-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylpyrimidine;5-(1,3-dimethylimidazol-1-ium-2-yl)-4-methylpyrimidine;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane
CID 162214427
25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
CID 137294888
7-bromo-5-methylquinolin-6-amine
CID 167472712
4-(1,3-dimethylimidazol-1-ium-2-yl)aniline
CID 175314337
14-methyl-13-(2-methylphenyl)-11-thia-6-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 140871431
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
1,2,3-trimethylimidazol-1-ium
CID 158300454
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
5-fluoro-6,7-dimethylquinoline
CID 143662971
bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium
CID 11201927
4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline
CID 140827931
spiro[fluorene-9,7'-indeno[1,2-f]quinoline]
CID 134354321

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline?
The IUPAC name of 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline (CID 140917884) is 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline.
What is the SMILES notation for 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline?
The canonical SMILES for 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline is Cc1c(-c2n(C)cc[n+]2C)ccc2ncccc12.
What is the InChIKey of 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline?
The InChIKey is POAKYNJKLPPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N3/c1-11-12-5-4-8-16-14(12)7-6-13(11)15-17(2)9-10-18(15)3/h4-10H,1-3H3/q+1.
What are the key properties of 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline?
6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline has a molecular weight of 238.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline is sourced from PubChem (CID 140917884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).