3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline

C18H14F3NO — CID 66913756

IUPAC3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline
SMILESCOCc1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C18H14F3NO/c1-23-11-13-10-22-17-14(8-5-9-15(17)18(19,20)21)16(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeyDUGZNCGVHKKODH-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.07
Rot. Bonds3

About 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline

3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66913756) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66913756
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline
SMILESCOCc1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C18H14F3NO/c1-23-11-13-10-22-17-14(8-5-9-15(17)18(19,20)21)16(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeyDUGZNCGVHKKODH-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline (CID 66913756) is 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline is COCc1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1.
What is the InChIKey of 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is DUGZNCGVHKKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c1-23-11-13-10-22-17-14(8-5-9-15(17)18(19,20)21)16(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3.
What are the key properties of 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline?
3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 317.31 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66913756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).