7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline

C20H17N2+ — CID 59372147

IUPAC7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline
SMILESCc1cc2ncccc2cc1-c1ccc2ccccc2[n+]1C
InChIInChI=1S/C20H17N2/c1-14-12-18-16(7-5-11-21-18)13-17(14)20-10-9-15-6-3-4-8-19(15)22(20)2/h3-13H,1-2H3/q+1
InChIKeyOBFXRAGPFKTIAG-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.19
Rot. Bonds1

About 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline

7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline (PubChem CID 59372147) has the molecular formula C20H17N2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline.

Molecular Properties

Compound Name7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline
PubChem CID59372147
Molecular FormulaC20H17N2+
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline
SMILESCc1cc2ncccc2cc1-c1ccc2ccccc2[n+]1C
InChIInChI=1S/C20H17N2/c1-14-12-18-16(7-5-11-21-18)13-17(14)20-10-9-15-6-3-4-8-19(15)22(20)2/h3-13H,1-2H3/q+1
InChIKeyOBFXRAGPFKTIAG-UHFFFAOYSA-N
XLogP4.19
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(3-methylanthracen-2-yl)quinolin-1-ium
CID 59372149
7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline
CID 58695134
4-methyl-3-(1-methylquinolin-1-ium-2-yl)benzonitrile
CID 176787698
1-methyl-2-[2-methyl-5-(2-methylpropoxy)phenyl]quinolin-1-ium
CID 123409850
2-anthracen-9-yl-1-methylquinolin-1-ium
CID 141313920
6-methylquinoline-7-carboxamide
CID 142343744
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 157049607
2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-6-methyl-7-(1-methylquinolin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 176787818
1-methyl-2-(2-methylphenanthren-3-yl)-6-propan-2-ylquinolin-1-ium
CID 170405693
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline?
The IUPAC name of 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline (CID 59372147) is 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline.
What is the SMILES notation for 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline?
The canonical SMILES for 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline is Cc1cc2ncccc2cc1-c1ccc2ccccc2[n+]1C.
What is the InChIKey of 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline?
The InChIKey is OBFXRAGPFKTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2/c1-14-12-18-16(7-5-11-21-18)13-17(14)20-10-9-15-6-3-4-8-19(15)22(20)2/h3-13H,1-2H3/q+1.
What are the key properties of 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline?
7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline has a molecular weight of 285.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline is sourced from PubChem (CID 59372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).