1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline

C19H21N2O+ — CID 75117229

IUPAC1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline
SMILESCCN1C(=Cc2cc[n+](C)cc2)C=Cc2cc(OC)ccc21
InChIInChI=1S/C19H21N2O/c1-4-21-17(13-15-9-11-20(2)12-10-15)6-5-16-14-18(22-3)7-8-19(16)21/h5-14H,4H2,1-3H3/q+1
InChIKeyQTYVBNPRGQTHFP-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.41
Rot. Bonds3

About 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline

1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline (PubChem CID 75117229) has the molecular formula C19H21N2O+ and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline.

Molecular Properties

Compound Name1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline
PubChem CID75117229
Molecular FormulaC19H21N2O+
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline
SMILESCCN1C(=Cc2cc[n+](C)cc2)C=Cc2cc(OC)ccc21
InChIInChI=1S/C19H21N2O/c1-4-21-17(13-15-9-11-20(2)12-10-15)6-5-16-14-18(22-3)7-8-19(16)21/h5-14H,4H2,1-3H3/q+1
InChIKeyQTYVBNPRGQTHFP-UHFFFAOYSA-N
XLogP3.41
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-(1-ethyl-6-methoxyquinolin-2-ylidene)methyl]-1,3-dimethylpyrimidin-1-ium-2-one
CID 135625513
2-[(1-ethylquinolin-2-ylidene)methyl]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-3-ium iodide
CID 162257011
2-[(1-ethylquinolin-2-ylidene)methyl]-3-methyl-1,3-thiazol-3-ium iodide
CID 74337192
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038
(5Z)-5-(1-ethyl-6-methoxyquinolin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6013564
2-[(E)-(1-ethyl-6-methylquinolin-2-ylidene)methyl]-3-methyl-4-phenyl-1,3-thiazol-3-ium
CID 135511623
3-ethyl-2-[(Z)-(1-ethyl-6-methylquinolin-2-ylidene)methyl]-4-(4-methylphenyl)-1,3-thiazol-3-ium
CID 146051138
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
CID 171668959
(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole
CID 59989538
1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
CID 68674815
6-methoxy-1-propyl-2H-quinoline;hydroiodide
CID 70449070
3-ethyl-5-methoxy-1,2-dimethylbenzimidazol-1-ium
CID 153134341

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline?
The IUPAC name of 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline (CID 75117229) is 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline.
What is the SMILES notation for 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline?
The canonical SMILES for 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline is CCN1C(=Cc2cc[n+](C)cc2)C=Cc2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline?
The InChIKey is QTYVBNPRGQTHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O/c1-4-21-17(13-15-9-11-20(2)12-10-15)6-5-16-14-18(22-3)7-8-19(16)21/h5-14H,4H2,1-3H3/q+1.
What are the key properties of 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline?
1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline has a molecular weight of 293.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-2-[(1-methylpyridin-1-ium-4-yl)methylidene]quinoline is sourced from PubChem (CID 75117229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).