2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline

C18H20F4N2O — CID 58948400

IUPAC2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline
SMILESCC(C)N1CCC(Oc2cc(F)nc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C18H20F4N2O/c1-11(2)24-8-6-12(7-9-24)25-15-10-16(19)23-17-13(15)4-3-5-14(17)18(20,21)22/h3-5,10-12H,6-9H2,1-2H3
InChIKeyHDECWUJCXJFSCS-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.64
Rot. Bonds3

About 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline

2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline (PubChem CID 58948400) has the molecular formula C18H20F4N2O and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline
PubChem CID58948400
Molecular FormulaC18H20F4N2O
Molecular Weight356.36 g/mol
Exact Mass356.15
IUPAC Name2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline
SMILESCC(C)N1CCC(Oc2cc(F)nc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C18H20F4N2O/c1-11(2)24-8-6-12(7-9-24)25-15-10-16(19)23-17-13(15)4-3-5-14(17)18(20,21)22/h3-5,10-12H,6-9H2,1-2H3
InChIKeyHDECWUJCXJFSCS-UHFFFAOYSA-N
XLogP4.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline (CID 58948400) is 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline is CC(C)N1CCC(Oc2cc(F)nc3c(C(F)(F)F)cccc23)CC1.
What is the InChIKey of 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline?
The InChIKey is HDECWUJCXJFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N2O/c1-11(2)24-8-6-12(7-9-24)25-15-10-16(19)23-17-13(15)4-3-5-14(17)18(20,21)22/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline?
2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline has a molecular weight of 356.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 58948400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).