(5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C20H10F3NO2S — CID 122653039

IUPAC(5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc3cccnc3c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C20H10F3NO2S/c21-13-9-12(17(22)20(26)18(13)23)19(25)16-6-5-15(27-16)11-4-3-10-2-1-7-24-14(10)8-11/h1-9,26H
InChIKeyJNAXHYFRIIJSMB-UHFFFAOYSA-N
MW385.37 g/mol
LogP5.32
Rot. Bonds3

About (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

(5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122653039) has the molecular formula C20H10F3NO2S and a molecular weight of 385.37 g/mol. Its IUPAC name is (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122653039
Molecular FormulaC20H10F3NO2S
Molecular Weight385.37 g/mol
Exact Mass385.04
IUPAC Name(5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc3cccnc3c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C20H10F3NO2S/c21-13-9-12(17(22)20(26)18(13)23)19(25)16-6-5-15(27-16)11-4-3-10-2-1-7-24-14(10)8-11/h1-9,26H
InChIKeyJNAXHYFRIIJSMB-UHFFFAOYSA-N
XLogP5.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122653039) is (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2ccc3cccnc3c2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is JNAXHYFRIIJSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3NO2S/c21-13-9-12(17(22)20(26)18(13)23)19(25)16-6-5-15(27-16)11-4-3-10-2-1-7-24-14(10)8-11/h1-9,26H.
What are the key properties of (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
(5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 385.37 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122653039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).