6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline

C18H16FN — CID 138464468

IUPAC6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccc3c(C)c(F)c(C)cc3n2)c1
InChIInChI=1S/C18H16FN/c1-11-5-4-6-14(9-11)16-8-7-15-13(3)18(19)12(2)10-17(15)20-16/h4-10H,1-3H3
InChIKeyDTRDJRLSVGWUBV-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.97
Rot. Bonds1

About 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline

6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline (PubChem CID 138464468) has the molecular formula C18H16FN and a molecular weight of 265.33 g/mol. Its IUPAC name is 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline
PubChem CID138464468
Molecular FormulaC18H16FN
Molecular Weight265.33 g/mol
Exact Mass265.13
IUPAC Name6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccc3c(C)c(F)c(C)cc3n2)c1
InChIInChI=1S/C18H16FN/c1-11-5-4-6-14(9-11)16-8-7-15-13(3)18(19)12(2)10-17(15)20-16/h4-10H,1-3H3
InChIKeyDTRDJRLSVGWUBV-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline?
The IUPAC name of 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline (CID 138464468) is 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline.
What is the SMILES notation for 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline?
The canonical SMILES for 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline is Cc1cccc(-c2ccc3c(C)c(F)c(C)cc3n2)c1.
What is the InChIKey of 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline?
The InChIKey is DTRDJRLSVGWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN/c1-11-5-4-6-14(9-11)16-8-7-15-13(3)18(19)12(2)10-17(15)20-16/h4-10H,1-3H3.
What are the key properties of 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline?
6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline has a molecular weight of 265.33 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline is sourced from PubChem (CID 138464468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).