8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline

C14H7F3N2O2S — CID 174426293

IUPAC8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cccc2cc(C(F)(F)F)c(-c3cccs3)nc12
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)9-7-8-3-1-4-10(19(20)21)12(8)18-13(9)11-5-2-6-22-11/h1-7H
InChIKeyHVBFVRIKCXMECO-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.89
Rot. Bonds2

About 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline

8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline (PubChem CID 174426293) has the molecular formula C14H7F3N2O2S and a molecular weight of 324.28 g/mol. Its IUPAC name is 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline
PubChem CID174426293
Molecular FormulaC14H7F3N2O2S
Molecular Weight324.28 g/mol
Exact Mass324.02
IUPAC Name8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cccc2cc(C(F)(F)F)c(-c3cccs3)nc12
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)9-7-8-3-1-4-10(19(20)21)12(8)18-13(9)11-5-2-6-22-11/h1-7H
InChIKeyHVBFVRIKCXMECO-UHFFFAOYSA-N
XLogP4.89
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline?
The IUPAC name of 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline (CID 174426293) is 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline?
The canonical SMILES for 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline is O=[N+]([O-])c1cccc2cc(C(F)(F)F)c(-c3cccs3)nc12.
What is the InChIKey of 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline?
The InChIKey is HVBFVRIKCXMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2S/c15-14(16,17)9-7-8-3-1-4-10(19(20)21)12(8)18-13(9)11-5-2-6-22-11/h1-7H.
What are the key properties of 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline?
8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline has a molecular weight of 324.28 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline is sourced from PubChem (CID 174426293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).