6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one

C14H8F6N2O — CID 22218162

IUPAC6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
SMILESC1=C2C=C3C(=CC(=O)N3)C(=C2NC(=C1)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8F6N2O/c15-13(16,17)5-7-2-1-6-3-9-8(4-10(23)22-9)11(12(6)21-7)14(18,19)20/h1-4,21H,5H2,(H,22,23)
InChIKeyZUPHVNWKLNAWQA-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.30
Rot. Bonds1

About 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one

6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one (PubChem CID 22218162) has the molecular formula C14H8F6N2O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one.

Molecular Properties

Compound Name6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
PubChem CID22218162
Molecular FormulaC14H8F6N2O
Molecular Weight334.22 g/mol
Exact Mass334.05
IUPAC Name6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
SMILESC1=C2C=C3C(=CC(=O)N3)C(=C2NC(=C1)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8F6N2O/c15-13(16,17)5-7-2-1-6-3-9-8(4-10(23)22-9)11(12(6)21-7)14(18,19)20/h1-4,21H,5H2,(H,22,23)
InChIKeyZUPHVNWKLNAWQA-UHFFFAOYSA-N
XLogP2.30
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity746

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one with MolForge

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Related Compounds

4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
8-Chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218138
5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
CID 69388423
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407
N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
CID 88688295
7-amino-3-methyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
CID 163586136
3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one
CID 163985694
6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one
CID 10062037
2(1H)-Pyridinone, 6-ethyl-4-(trifluoromethyl)-
CID 11041570
6-Propyl-4-(trifluoromethyl)-2-pyridinol
CID 18526012
4-(2-Aminoethyl)-6-(trifluoromethyl)pyridin-2-OL
CID 72217122
6-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516161

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
The IUPAC name of 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one (CID 22218162) is 6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one.
What is the SMILES notation for 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
The canonical SMILES for 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one is C1=C2C=C3C(=CC(=O)N3)C(=C2NC(=C1)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
The InChIKey is ZUPHVNWKLNAWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N2O/c15-13(16,17)5-7-2-1-6-3-9-8(4-10(23)22-9)11(12(6)21-7)14(18,19)20/h1-4,21H,5H2,(H,22,23).
What are the key properties of 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one has a molecular weight of 334.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one is sourced from PubChem (CID 22218162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).