2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

C19H15F3N2O4 — CID 69367085

IUPAC2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
SMILESCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N1C(=O)C2C3CCC(O3)C2C1=O
InChIInChI=1S/C19H15F3N2O4/c1-7-4-8-9(19(20,21)22)5-14(25)23-10(8)6-11(7)24-17(26)15-12-2-3-13(28-12)16(15)18(24)27/h4-6,12-13,15-16H,2-3H2,1H3,(H,23,25)
InChIKeyIIEBGIWTZMADDS-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.52
Rot. Bonds1

About 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (PubChem CID 69367085) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
PubChem CID69367085
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
SMILESCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N1C(=O)C2C3CCC(O3)C2C1=O
InChIInChI=1S/C19H15F3N2O4/c1-7-4-8-9(19(20,21)22)5-14(25)23-10(8)6-11(7)24-17(26)15-12-2-3-13(28-12)16(15)18(24)27/h4-6,12-13,15-16H,2-3H2,1H3,(H,23,25)
InChIKeyIIEBGIWTZMADDS-UHFFFAOYSA-N
XLogP2.52
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione with MolForge

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Related Compounds

4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one
CID 58722870
1-(2,2-dimethylpropyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
CID 16658847
(3aR,4S,7R,7aS)-2-[4-methyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 51422474
(3aR,4R,7R,7aR)-2-(1,5-dimethylpyrazol-3-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 100725398
(2R)-2-iodo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
CID 142046868
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
(3aR,4S,7S,7aR)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98273632
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055340
6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214
(1R,2S,6R,7S)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 68543201
6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 162602765

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The IUPAC name of 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (CID 69367085) is 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
What is the SMILES notation for 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The canonical SMILES for 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is Cc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N1C(=O)C2C3CCC(O3)C2C1=O.
What is the InChIKey of 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The InChIKey is IIEBGIWTZMADDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-7-4-8-9(19(20,21)22)5-14(25)23-10(8)6-11(7)24-17(26)15-12-2-3-13(28-12)16(15)18(24)27/h4-6,12-13,15-16H,2-3H2,1H3,(H,23,25).
What are the key properties of 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione has a molecular weight of 392.33 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 69367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).