4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline

C18H14F3NO — CID 20711982

IUPAC4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
SMILESCOc1cc(-c2ccc(C)cc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H14F3NO/c1-11-6-8-12(9-7-11)15-10-16(23-2)13-4-3-5-14(17(13)22-15)18(19,20)21/h3-10H,1-2H3
InChIKeyPPUBTMKPQYFGEL-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.24
Rot. Bonds2

About 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline

4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline (PubChem CID 20711982) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
PubChem CID20711982
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
SMILESCOc1cc(-c2ccc(C)cc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H14F3NO/c1-11-6-8-12(9-7-11)15-10-16(23-2)13-4-3-5-14(17(13)22-15)18(19,20)21/h3-10H,1-2H3
InChIKeyPPUBTMKPQYFGEL-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline (CID 20711982) is 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline is COc1cc(-c2ccc(C)cc2)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline?
The InChIKey is PPUBTMKPQYFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c1-11-6-8-12(9-7-11)15-10-16(23-2)13-4-3-5-14(17(13)22-15)18(19,20)21/h3-10H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline?
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline has a molecular weight of 317.31 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 20711982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).