1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride

C18H16ClNO — CID 139079399

IUPAC1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride
SMILESCC(=O)c1c(C)[nH+]c2ccccc2c1-c1ccccc1.[Cl-]
InChIInChI=1S/C18H15NO.ClH/c1-12-17(13(2)20)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19-12;/h3-11H,1-2H3;1H
InChIKeyWJPHNCHSZRIXPV-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride

1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride (PubChem CID 139079399) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride.

Molecular Properties

Compound Name1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride
PubChem CID139079399
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride
SMILESCC(=O)c1c(C)[nH+]c2ccccc2c1-c1ccccc1.[Cl-]
InChIInChI=1S/C18H15NO.ClH/c1-12-17(13(2)20)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19-12;/h3-11H,1-2H3;1H
InChIKeyWJPHNCHSZRIXPV-UHFFFAOYSA-N
XLogP0.84
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetyl-4-phenylchromen-2-one
CID 56965161
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone
CID 134848098
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
4-phenyl-3-prop-1-en-2-yl-1H-quinolin-2-one
CID 142303338
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
1-[2-acetyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]ethanone
CID 12582237

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride?
The IUPAC name of 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride (CID 139079399) is 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride.
What is the SMILES notation for 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride?
The canonical SMILES for 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride is CC(=O)c1c(C)[nH+]c2ccccc2c1-c1ccccc1.[Cl-].
What is the InChIKey of 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride?
The InChIKey is WJPHNCHSZRIXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO.ClH/c1-12-17(13(2)20)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19-12;/h3-11H,1-2H3;1H.
What are the key properties of 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride?
1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride has a molecular weight of 297.79 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride is sourced from PubChem (CID 139079399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).