1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium

C23H28N+ — CID 140920868

IUPAC1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium
SMILESCc1ccc(C(C)C)cc1-c1cc(C(C)C)c2ccccc2[n+]1C
InChIInChI=1S/C23H28N/c1-15(2)18-12-11-17(5)21(13-18)23-14-20(16(3)4)19-9-7-8-10-22(19)24(23)6/h7-16H,1-6H3/q+1
InChIKeyRBNFTYOJKONXJT-UHFFFAOYSA-N
MW318.48 g/mol
LogP5.89
Rot. Bonds3

About 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium

1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium (PubChem CID 140920868) has the molecular formula C23H28N+ and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium
PubChem CID140920868
Molecular FormulaC23H28N+
Molecular Weight318.48 g/mol
Exact Mass318.22
IUPAC Name1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium
SMILESCc1ccc(C(C)C)cc1-c1cc(C(C)C)c2ccccc2[n+]1C
InChIInChI=1S/C23H28N/c1-15(2)18-12-11-17(5)21(13-18)23-14-20(16(3)4)19-9-7-8-10-22(19)24(23)6/h7-16H,1-6H3/q+1
InChIKeyRBNFTYOJKONXJT-UHFFFAOYSA-N
XLogP5.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

1-methyl-2-(3-methyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358246
1-methyl-2-(3-methyl-6-phenyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358127
1-methyl-2-(2-methylphenanthren-3-yl)-6-propan-2-ylquinolin-1-ium
CID 170405693
9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-2,7-di(propan-2-yl)carbazole
CID 171459115
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
1-methyl-2-(4-methylphenanthren-3-yl)-5-propan-2-ylquinolin-1-ium
CID 170405656
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466956
[6-(2,5-dimethylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium-3-yl]-trimethylgermane
CID 157253376
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
4-methyl-1-phenyl-6-propan-2-ylnaphthalene
CID 157491424

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium?
The IUPAC name of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium (CID 140920868) is 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium is Cc1ccc(C(C)C)cc1-c1cc(C(C)C)c2ccccc2[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium?
The InChIKey is RBNFTYOJKONXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N/c1-15(2)18-12-11-17(5)21(13-18)23-14-20(16(3)4)19-9-7-8-10-22(19)24(23)6/h7-16H,1-6H3/q+1.
What are the key properties of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium?
1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium has a molecular weight of 318.48 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-propan-2-ylquinolin-1-ium is sourced from PubChem (CID 140920868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).