1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one

C14H12F3NO2 — CID 59336016

IUPAC1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
SMILESCCC(=O)c1ccc(OC)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H12F3NO2/c1-3-10(19)8-4-6-11(20-2)13-9(8)5-7-12(18-13)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyQXAZKDMDJAMBGJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.85
Rot. Bonds3

About 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one

1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one (PubChem CID 59336016) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
PubChem CID59336016
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
SMILESCCC(=O)c1ccc(OC)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H12F3NO2/c1-3-10(19)8-4-6-11(20-2)13-9(8)5-7-12(18-13)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyQXAZKDMDJAMBGJ-UHFFFAOYSA-N
XLogP3.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one?
The IUPAC name of 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one (CID 59336016) is 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one.
What is the SMILES notation for 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one?
The canonical SMILES for 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one is CCC(=O)c1ccc(OC)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one?
The InChIKey is QXAZKDMDJAMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-3-10(19)8-4-6-11(20-2)13-9(8)5-7-12(18-13)14(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one?
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one has a molecular weight of 283.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one is sourced from PubChem (CID 59336016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).