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

C14H7ClF6N2O — CID 22218138

IUPAC8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
SMILESO=c1cc2c(C(F)(F)F)c3[nH]c(CC(F)(F)F)cc(Cl)c3cc2[nH]1
InChIInChI=1S/C14H7ClF6N2O/c15-8-1-5(4-13(16,17)18)22-12-6(8)2-9-7(3-10(24)23-9)11(12)14(19,20)21/h1-3,22H,4H2,(H,23,24)
InChIKeySHAYVLLOKMGYGO-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.79
Rot. Bonds1

About 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one

8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one (PubChem CID 22218138) has the molecular formula C14H7ClF6N2O and a molecular weight of 368.66 g/mol. Its IUPAC name is 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one.

Molecular Properties

Compound Name8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
PubChem CID22218138
Molecular FormulaC14H7ClF6N2O
Molecular Weight368.66 g/mol
Exact Mass368.02
IUPAC Name8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
SMILESO=c1cc2c(C(F)(F)F)c3[nH]c(CC(F)(F)F)cc(Cl)c3cc2[nH]1
InChIInChI=1S/C14H7ClF6N2O/c15-8-1-5(4-13(16,17)18)22-12-6(8)2-9-7(3-10(24)23-9)11(12)14(19,20)21/h1-3,22H,4H2,(H,23,24)
InChIKeySHAYVLLOKMGYGO-UHFFFAOYSA-N
XLogP4.79
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
The IUPAC name of 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one (CID 22218138) is 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one.
What is the SMILES notation for 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
The canonical SMILES for 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one is O=c1cc2c(C(F)(F)F)c3[nH]c(CC(F)(F)F)cc(Cl)c3cc2[nH]1.
What is the InChIKey of 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
The InChIKey is SHAYVLLOKMGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF6N2O/c15-8-1-5(4-13(16,17)18)22-12-6(8)2-9-7(3-10(24)23-9)11(12)14(19,20)21/h1-3,22H,4H2,(H,23,24).
What are the key properties of 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one?
8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one has a molecular weight of 368.66 g/mol, XLogP of 4.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one is sourced from PubChem (CID 22218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).