[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate

C19H16F6N2O3 — CID 10296582

IUPAC[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate
SMILESCCc1c(COC(C)=O)c2c3c(C(F)(F)F)cc(=O)[nH]c3ccc2n1CC(F)(F)F
InChIInChI=1S/C19H16F6N2O3/c1-3-13-10(7-30-9(2)28)16-14(27(13)8-18(20,21)22)5-4-12-17(16)11(19(23,24)25)6-15(29)26-12/h4-6H,3,7-8H2,1-2H3,(H,26,29)
InChIKeyWQDMTYJQORGDBA-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.69
Rot. Bonds4

About [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate

[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate (PubChem CID 10296582) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate.

Molecular Properties

Compound Name[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate
PubChem CID10296582
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC Name[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate
SMILESCCc1c(COC(C)=O)c2c3c(C(F)(F)F)cc(=O)[nH]c3ccc2n1CC(F)(F)F
InChIInChI=1S/C19H16F6N2O3/c1-3-13-10(7-30-9(2)28)16-14(27(13)8-18(20,21)22)5-4-12-17(16)11(19(23,24)25)6-15(29)26-12/h4-6H,3,7-8H2,1-2H3,(H,26,29)
InChIKeyWQDMTYJQORGDBA-UHFFFAOYSA-N
XLogP4.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one
CID 10134601
2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
CID 143378763
1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
CID 15978852
6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 21094385
6-[3-oxobutan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 122197407
6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 90954001
1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
CID 15980299
ethyl 2-[3-methyl-4-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072663
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one
CID 22279076
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279219

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate?
The IUPAC name of [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate (CID 10296582) is [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate.
What is the SMILES notation for [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate?
The canonical SMILES for [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate is CCc1c(COC(C)=O)c2c3c(C(F)(F)F)cc(=O)[nH]c3ccc2n1CC(F)(F)F.
What is the InChIKey of [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate?
The InChIKey is WQDMTYJQORGDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c1-3-13-10(7-30-9(2)28)16-14(27(13)8-18(20,21)22)5-4-12-17(16)11(19(23,24)25)6-15(29)26-12/h4-6H,3,7-8H2,1-2H3,(H,26,29).
What are the key properties of [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate?
[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate has a molecular weight of 434.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate is sourced from PubChem (CID 10296582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).