4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde

C11H6F3NO2 — CID 88950390

IUPAC4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)[nH]c2ccccc2c1=O
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)10-7(5-16)9(17)6-3-1-2-4-8(6)15-10/h1-5H,(H,15,17)
InChIKeyXVLNVEFONRVSMK-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.36
Rot. Bonds1

About 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde

4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde (PubChem CID 88950390) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
PubChem CID88950390
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)[nH]c2ccccc2c1=O
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)10-7(5-16)9(17)6-3-1-2-4-8(6)15-10/h1-5H,(H,15,17)
InChIKeyXVLNVEFONRVSMK-UHFFFAOYSA-N
XLogP2.36
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 154728171
10H-acridin-9-one
CID 22753806
3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 90747358
10H-acridin-9-one;ethane
CID 91525380
2-pyridin-2-yl-3-(trifluoromethyl)-1H-quinolin-4-one
CID 164679303
2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 84703215
(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
CID 131870896
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856
2-[2-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
CID 15271069
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine
CID 176899133
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde?
The IUPAC name of 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde (CID 88950390) is 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde is O=Cc1c(C(F)(F)F)[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde?
The InChIKey is XVLNVEFONRVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)10-7(5-16)9(17)6-3-1-2-4-8(6)15-10/h1-5H,(H,15,17).
What are the key properties of 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde?
4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde has a molecular weight of 241.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 88950390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).