2-anthracen-9-yl-1-methylquinolin-1-ium

C24H18N+ — CID 141313920

IUPAC2-anthracen-9-yl-1-methylquinolin-1-ium
SMILESC[n+]1c(-c2c3ccccc3cc3ccccc23)ccc2ccccc21
InChIInChI=1S/C24H18N/c1-25-22-13-7-4-8-17(22)14-15-23(25)24-20-11-5-2-9-18(20)16-19-10-3-6-12-21(19)24/h2-16H,1H3/q+1
InChIKeyZAYHTYJUUSCPRD-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.64
Rot. Bonds1

About 2-anthracen-9-yl-1-methylquinolin-1-ium

2-anthracen-9-yl-1-methylquinolin-1-ium (PubChem CID 141313920) has the molecular formula C24H18N+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-anthracen-9-yl-1-methylquinolin-1-ium.

Molecular Properties

Compound Name2-anthracen-9-yl-1-methylquinolin-1-ium
PubChem CID141313920
Molecular FormulaC24H18N+
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name2-anthracen-9-yl-1-methylquinolin-1-ium
SMILESC[n+]1c(-c2c3ccccc3cc3ccccc23)ccc2ccccc21
InChIInChI=1S/C24H18N/c1-25-22-13-7-4-8-17(22)14-15-23(25)24-20-11-5-2-9-18(20)16-19-10-3-6-12-21(19)24/h2-16H,1H3/q+1
InChIKeyZAYHTYJUUSCPRD-UHFFFAOYSA-N
XLogP5.64
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-anthracen-9-yl-1-methylquinolin-1-ium bromide
CID 141313919
1-methyl-2-(3-methylanthracen-2-yl)quinolin-1-ium
CID 59372149
1-methyl-2-[4-(4-methylphenyl)-2,6-diphenylphenyl]quinolin-1-ium perchlorate
CID 10347827
7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline
CID 58695134
1-methyl-2-(2-methylnaphthalen-1-yl)-5-(trifluoromethyl)quinolin-1-ium
CID 166054527
2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate
CID 10031768
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium
CID 147549881
2,6,7-trimethyl-8-(1-methylquinolin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140802292
1-methyl-2-(2-methyl-5-propylphenyl)quinolin-1-ium;propane
CID 145473308
1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
CID 164787286
2-[6-(4,6-diphenylpyrimidin-2-yl)-3-methyldibenzofuran-4-yl]-1-methylquinolin-1-ium
CID 176787893
4-methyl-3-(1-methylquinolin-1-ium-2-yl)benzonitrile
CID 176787698

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-1-methylquinolin-1-ium?
The IUPAC name of 2-anthracen-9-yl-1-methylquinolin-1-ium (CID 141313920) is 2-anthracen-9-yl-1-methylquinolin-1-ium.
What is the SMILES notation for 2-anthracen-9-yl-1-methylquinolin-1-ium?
The canonical SMILES for 2-anthracen-9-yl-1-methylquinolin-1-ium is C[n+]1c(-c2c3ccccc3cc3ccccc23)ccc2ccccc21.
What is the InChIKey of 2-anthracen-9-yl-1-methylquinolin-1-ium?
The InChIKey is ZAYHTYJUUSCPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N/c1-25-22-13-7-4-8-17(22)14-15-23(25)24-20-11-5-2-9-18(20)16-19-10-3-6-12-21(19)24/h2-16H,1H3/q+1.
What are the key properties of 2-anthracen-9-yl-1-methylquinolin-1-ium?
2-anthracen-9-yl-1-methylquinolin-1-ium has a molecular weight of 320.42 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-1-methylquinolin-1-ium is sourced from PubChem (CID 141313920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).