2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline

C21H22FN — CID 155627713

IUPAC2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
SMILESCc1cc(C)cc(-c2cc(CC(C)C)c3cc(F)ccc3n2)c1
InChIInChI=1S/C21H22FN/c1-13(2)7-16-11-21(17-9-14(3)8-15(4)10-17)23-20-6-5-18(22)12-19(16)20/h5-6,8-13H,7H2,1-4H3
InChIKeyQLPXCJZYQAVBGA-UHFFFAOYSA-N
MW307.41 g/mol
LogP5.86
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline

2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline (PubChem CID 155627713) has the molecular formula C21H22FN and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
PubChem CID155627713
Molecular FormulaC21H22FN
Molecular Weight307.41 g/mol
Exact Mass307.17
IUPAC Name2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
SMILESCc1cc(C)cc(-c2cc(CC(C)C)c3cc(F)ccc3n2)c1
InChIInChI=1S/C21H22FN/c1-13(2)7-16-11-21(17-9-14(3)8-15(4)10-17)23-20-6-5-18(22)12-19(16)20/h5-6,8-13H,7H2,1-4H3
InChIKeyQLPXCJZYQAVBGA-UHFFFAOYSA-N
XLogP5.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
CID 162494248
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826
4-butyl-6-fluoro-2-phenylquinoline
CID 141464456
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 163458233
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
CID 159845095
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
CID 155620657
6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
CID 137190135
5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
CID 138464224
2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
CID 121266831
2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
CID 140872725
5-[3-(difluoromethyl)-2,4,4,4-tetrafluorobutyl]-2-(3,5-dimethylphenyl)quinoline
CID 175323095

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline (CID 155627713) is 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline is Cc1cc(C)cc(-c2cc(CC(C)C)c3cc(F)ccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline?
The InChIKey is QLPXCJZYQAVBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN/c1-13(2)7-16-11-21(17-9-14(3)8-15(4)10-17)23-20-6-5-18(22)12-19(16)20/h5-6,8-13H,7H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline?
2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline has a molecular weight of 307.41 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline is sourced from PubChem (CID 155627713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).