trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium

C20H21N2+ — CID 2750433

IUPACtrimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
SMILESC[N+](C)(C)c1ccc(C=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H21N2/c1-22(2,3)19-14-9-16(10-15-19)8-12-18-13-11-17-6-4-5-7-20(17)21-18/h4-15H,1-3H3/q+1
InChIKeyHVEOWOAYACQWGE-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.60
Rot. Bonds3

About trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium

trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium (PubChem CID 2750433) has the molecular formula C20H21N2+ and a molecular weight of 289.40 g/mol. Its IUPAC name is trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
PubChem CID2750433
Molecular FormulaC20H21N2+
Molecular Weight289.40 g/mol
Exact Mass289.17
IUPAC Nametrimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
SMILESC[N+](C)(C)c1ccc(C=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H21N2/c1-22(2,3)19-14-9-16(10-15-19)8-12-18-13-11-17-6-4-5-7-20(17)21-18/h4-15H,1-3H3/q+1
InChIKeyHVEOWOAYACQWGE-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline
CID 141489651
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
2-[(E)-2-(1H-indol-5-yl)ethenyl]quinoline
CID 142044528
2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline
CID 7945992
2-[N-methyl-4-[(E)-2-quinolin-2-ylethenyl]anilino]propanoic acid
CID 20709092
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium?
The IUPAC name of trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium (CID 2750433) is trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium.
What is the SMILES notation for trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium?
The canonical SMILES for trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium is C[N+](C)(C)c1ccc(C=Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium?
The InChIKey is HVEOWOAYACQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2/c1-22(2,3)19-14-9-16(10-15-19)8-12-18-13-11-17-6-4-5-7-20(17)21-18/h4-15H,1-3H3/q+1.
What are the key properties of trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium?
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium has a molecular weight of 289.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium is sourced from PubChem (CID 2750433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).