2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one

C16H11ClF3NO2 — CID 135373660

IUPAC2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCC(Oc2ccc(C(F)(F)F)cc2)c2nc(Cl)ccc21
InChIInChI=1S/C16H11ClF3NO2/c17-14-8-5-11-12(22)6-7-13(15(11)21-14)23-10-3-1-9(2-4-10)16(18,19)20/h1-5,8,13H,6-7H2
InChIKeyBSDQXTGPSJHKQX-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.85
Rot. Bonds2

About 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one

2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 135373660) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one
PubChem CID135373660
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCC(Oc2ccc(C(F)(F)F)cc2)c2nc(Cl)ccc21
InChIInChI=1S/C16H11ClF3NO2/c17-14-8-5-11-12(22)6-7-13(15(11)21-14)23-10-3-1-9(2-4-10)16(18,19)20/h1-5,8,13H,6-7H2
InChIKeyBSDQXTGPSJHKQX-UHFFFAOYSA-N
XLogP4.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.85
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-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one (CID 135373660) is 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one is O=C1CCC(Oc2ccc(C(F)(F)F)cc2)c2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is BSDQXTGPSJHKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-14-8-5-11-12(22)6-7-13(15(11)21-14)23-10-3-1-9(2-4-10)16(18,19)20/h1-5,8,13H,6-7H2.
What are the key properties of 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 341.72 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 135373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).