1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one

C17H14F6N2O2 — CID 15978852

IUPAC1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCc1c(C)n(CC(O)C(F)(F)F)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c12
InChIInChI=1S/C17H14F6N2O2/c1-7-8(2)25(6-12(26)17(21,22)23)11-4-3-10-15(14(7)11)9(16(18,19)20)5-13(27)24-10/h3-5,12,26H,6H2,1-2H3,(H,24,27)
InChIKeyUOFSNXAMPAHIOA-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.04
Rot. Bonds2

About 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one

1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 15978852) has the molecular formula C17H14F6N2O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID15978852
Molecular FormulaC17H14F6N2O2
Molecular Weight392.30 g/mol
Exact Mass392.10
IUPAC Name1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCc1c(C)n(CC(O)C(F)(F)F)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c12
InChIInChI=1S/C17H14F6N2O2/c1-7-8(2)25(6-12(26)17(21,22)23)11-4-3-10-15(14(7)11)9(16(18,19)20)5-13(27)24-10/h3-5,12,26H,6H2,1-2H3,(H,24,27)
InChIKeyUOFSNXAMPAHIOA-UHFFFAOYSA-N
XLogP4.04
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
[2-ethyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-1-yl]methyl acetate
CID 10296582
6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 21094385
2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one
CID 10201608
ethyl 2-[3-methyl-4-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072663
9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one
CID 143378766
6-[(2S,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87467043
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
6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87528638
3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
CID 135431965
6-[3-oxobutan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 122197407

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one (CID 15978852) is 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one is Cc1c(C)n(CC(O)C(F)(F)F)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c12.
What is the InChIKey of 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is UOFSNXAMPAHIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O2/c1-7-8(2)25(6-12(26)17(21,22)23)11-4-3-10-15(14(7)11)9(16(18,19)20)5-13(27)24-10/h3-5,12,26H,6H2,1-2H3,(H,24,27).
What are the key properties of 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 392.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-9-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 15978852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).