(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline

C18H19N2+ — CID 5400137

IUPAC(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline
SMILESCc1ccc2c(c1)C=C/C(=C/c1cccc[n+]1C)N2C
InChIInChI=1S/C18H19N2/c1-14-7-10-18-15(12-14)8-9-17(20(18)3)13-16-6-4-5-11-19(16)2/h4-13H,1-3H3/q+1
InChIKeyRNNOHKVSJKJIDA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.32
Rot. Bonds1

About (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline

(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline (PubChem CID 5400137) has the molecular formula C18H19N2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline.

Molecular Properties

Compound Name(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline
PubChem CID5400137
Molecular FormulaC18H19N2+
Molecular Weight263.36 g/mol
Exact Mass263.15
IUPAC Name(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline
SMILESCc1ccc2c(c1)C=C/C(=C/c1cccc[n+]1C)N2C
InChIInChI=1S/C18H19N2/c1-14-7-10-18-15(12-14)8-9-17(20(18)3)13-16-6-4-5-11-19(16)2/h4-13H,1-3H3/q+1
InChIKeyRNNOHKVSJKJIDA-UHFFFAOYSA-N
XLogP3.32
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-1,7-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline iodide
CID 146048665
(2E)-1-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline
CID 7514091
(2E)-1-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline iodide
CID 45488339
3-[(2E)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1-yl]propane-1-sulfonate
CID 2422138
(6E)-5-ethyl-3-methyl-6-[(1-methylpyridin-1-ium-2-yl)methylidene]phenanthridine
CID 46500787
2,4-bis[(E)-[1-methyl-6-(4-methylphenyl)quinolin-2-ylidene]methyl]cyclobutane-1,3-diol
CID 139303991
(2E)-2-[(1,6-dimethylquinolin-1-ium-2-yl)methylidene]-1-ethyl-6-methylquinoline
CID 45488229
(2E,5Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-5-(1-methylquinolin-2-ylidene)-1,3-thiazolidin-4-one
CID 10370255
(2E)-2-[(1,5-dimethylpyridin-1-ium-2-yl)methylidene]-1-ethyl-6-methylbenzo[h]quinoline
CID 46500798
(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline
CID 134413065
(5E)-5-[(2Z)-2-(1,6-dimethylquinolin-2-ylidene)ethylidene]quinolin-8-one
CID 5351203
2-[(E)-(1-ethyl-6-methylquinolin-2-ylidene)methyl]-3-methyl-4-phenyl-1,3-thiazol-3-ium
CID 135511623

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline?
The IUPAC name of (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline (CID 5400137) is (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline.
What is the SMILES notation for (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline?
The canonical SMILES for (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline is Cc1ccc2c(c1)C=C/C(=C/c1cccc[n+]1C)N2C.
What is the InChIKey of (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline?
The InChIKey is RNNOHKVSJKJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2/c1-14-7-10-18-15(12-14)8-9-17(20(18)3)13-16-6-4-5-11-19(16)2/h4-13H,1-3H3/q+1.
What are the key properties of (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline?
(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline has a molecular weight of 263.36 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline is sourced from PubChem (CID 5400137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).