ethane;6-fluoro-2,4-dimethylquinoline

C15H22FN — CID 142222878

IUPACethane;6-fluoro-2,4-dimethylquinoline
SMILESCC.CC.Cc1cc(C)c2cc(F)ccc2n1
InChIInChI=1S/C11H10FN.2C2H6/c1-7-5-8(2)13-11-4-3-9(12)6-10(7)11;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyLTUXIWXYXRAPNQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP5.04
Rot. Bonds

About ethane;6-fluoro-2,4-dimethylquinoline

ethane;6-fluoro-2,4-dimethylquinoline (PubChem CID 142222878) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is ethane;6-fluoro-2,4-dimethylquinoline.

Molecular Properties

Compound Nameethane;6-fluoro-2,4-dimethylquinoline
PubChem CID142222878
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Nameethane;6-fluoro-2,4-dimethylquinoline
SMILESCC.CC.Cc1cc(C)c2cc(F)ccc2n1
InChIInChI=1S/C11H10FN.2C2H6/c1-7-5-8(2)13-11-4-3-9(12)6-10(7)11;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyLTUXIWXYXRAPNQ-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
2-(6-fluoro-4-methylquinolin-2-yl)sulfanylacetonitrile
CID 43840437
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
6-fluoro-4-isocyanato-2-methylquinoline
CID 83916184
6-fluoro-N-hydroxy-4-methylquinoline-2-carboxamide
CID 82574415
6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
2,4,6,7-tetramethylquinoline
CID 13148811
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
3-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]propanenitrile
CID 133381669
4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid
CID 170984795
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-2,4-dimethylquinoline?
The IUPAC name of ethane;6-fluoro-2,4-dimethylquinoline (CID 142222878) is ethane;6-fluoro-2,4-dimethylquinoline.
What is the SMILES notation for ethane;6-fluoro-2,4-dimethylquinoline?
The canonical SMILES for ethane;6-fluoro-2,4-dimethylquinoline is CC.CC.Cc1cc(C)c2cc(F)ccc2n1.
What is the InChIKey of ethane;6-fluoro-2,4-dimethylquinoline?
The InChIKey is LTUXIWXYXRAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.2C2H6/c1-7-5-8(2)13-11-4-3-9(12)6-10(7)11;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of ethane;6-fluoro-2,4-dimethylquinoline?
ethane;6-fluoro-2,4-dimethylquinoline has a molecular weight of 235.35 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-2,4-dimethylquinoline is sourced from PubChem (CID 142222878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).