3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline

C24H17ClF3NO — CID 66914393

IUPAC3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(-c3ccccc3)c(COCc3ccccc3Cl)cnc12
InChIInChI=1S/C24H17ClF3NO/c25-21-12-5-4-9-17(21)14-30-15-18-13-29-23-19(10-6-11-20(23)24(26,27)28)22(18)16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKeyHERWHNNXJHEJEM-UHFFFAOYSA-N
MW427.85 g/mol
LogP7.29
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline

3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66914393) has the molecular formula C24H17ClF3NO and a molecular weight of 427.85 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66914393
Molecular FormulaC24H17ClF3NO
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC Name3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(-c3ccccc3)c(COCc3ccccc3Cl)cnc12
InChIInChI=1S/C24H17ClF3NO/c25-21-12-5-4-9-17(21)14-30-15-18-13-29-23-19(10-6-11-20(23)24(26,27)28)22(18)16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKeyHERWHNNXJHEJEM-UHFFFAOYSA-N
XLogP7.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.85
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline (CID 66914393) is 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2c(-c3ccccc3)c(COCc3ccccc3Cl)cnc12.
What is the InChIKey of 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is HERWHNNXJHEJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3NO/c25-21-12-5-4-9-17(21)14-30-15-18-13-29-23-19(10-6-11-20(23)24(26,27)28)22(18)16-7-2-1-3-8-16/h1-13H,14-15H2.
What are the key properties of 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline?
3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 427.85 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxymethyl]-4-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).