4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde

C18H10F3NO3 — CID 88871646

IUPAC4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde
SMILESO=Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C=O)cccc2c1=O
InChIInChI=1S/C18H10F3NO3/c19-18(20,21)12-5-1-3-10(7-12)15-14(9-24)17(25)13-6-2-4-11(8-23)16(13)22-15/h1-9H,(H,22,25)
InChIKeyZTLRJVFBXZELPE-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.84
Rot. Bonds3

About 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde

4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde (PubChem CID 88871646) has the molecular formula C18H10F3NO3 and a molecular weight of 345.28 g/mol. Its IUPAC name is 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde.

Molecular Properties

Compound Name4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde
PubChem CID88871646
Molecular FormulaC18H10F3NO3
Molecular Weight345.28 g/mol
Exact Mass345.06
IUPAC Name4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde
SMILESO=Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C=O)cccc2c1=O
InChIInChI=1S/C18H10F3NO3/c19-18(20,21)12-5-1-3-10(7-12)15-14(9-24)17(25)13-6-2-4-11(8-23)16(13)22-15/h1-9H,(H,22,25)
InChIKeyZTLRJVFBXZELPE-UHFFFAOYSA-N
XLogP3.84
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid
CID 22764372
2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3505439
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4640981
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 133089648
8-nitro-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-one
CID 58552922
4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
CID 88950390

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde?
The IUPAC name of 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde (CID 88871646) is 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde.
What is the SMILES notation for 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde?
The canonical SMILES for 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde is O=Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C=O)cccc2c1=O.
What is the InChIKey of 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde?
The InChIKey is ZTLRJVFBXZELPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NO3/c19-18(20,21)12-5-1-3-10(7-12)15-14(9-24)17(25)13-6-2-4-11(8-23)16(13)22-15/h1-9H,(H,22,25).
What are the key properties of 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde?
4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde has a molecular weight of 345.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde is sourced from PubChem (CID 88871646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).