1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium

C17H15N2+ — CID 3810456

IUPAC1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium
SMILESC[n+]1ccc(C=Cc2ccncc2)c2ccccc21
InChIInChI=1S/C17H15N2/c1-19-13-10-15(16-4-2-3-5-17(16)19)7-6-14-8-11-18-12-9-14/h2-13H,1H3/q+1
InChIKeyMOXHRJSLUAOTOQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.23
Rot. Bonds2

About 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium

1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium (PubChem CID 3810456) has the molecular formula C17H15N2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium
PubChem CID3810456
Molecular FormulaC17H15N2+
Molecular Weight247.32 g/mol
Exact Mass247.12
IUPAC Name1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium
SMILESC[n+]1ccc(C=Cc2ccncc2)c2ccccc21
InChIInChI=1S/C17H15N2/c1-19-13-10-15(16-4-2-3-5-17(16)19)7-6-14-8-11-18-12-9-14/h2-13H,1H3/q+1
InChIKeyMOXHRJSLUAOTOQ-UHFFFAOYSA-N
XLogP3.23
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium?
The IUPAC name of 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium (CID 3810456) is 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium.
What is the SMILES notation for 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium?
The canonical SMILES for 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium is C[n+]1ccc(C=Cc2ccncc2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium?
The InChIKey is MOXHRJSLUAOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2/c1-19-13-10-15(16-4-2-3-5-17(16)19)7-6-14-8-11-18-12-9-14/h2-13H,1H3/q+1.
What are the key properties of 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium?
1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium has a molecular weight of 247.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium is sourced from PubChem (CID 3810456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).