2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one

C90H71F33N12O16S — CID 158811423

About 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one

2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one (PubChem CID 158811423) has the molecular formula C90H71F33N12O16S and a molecular weight of 2235.63 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one.

Molecular Properties

• Compound Name: 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one
• PubChem CID: 158811423
• Molecular Formula: C90H71F33N12O16S
• Molecular Weight: 2235.63 g/mol
• Exact Mass: 2234.43
• IUPAC Name: 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one
• SMILES: CC1(O)COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1.CC1Oc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N(CC(F)(F)F)C1=O.CCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.COCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(=S)N3CC(F)(F)F
• InChI: InChI=1S/C17H16F6N2O3.C16H14F6N2O3.C15H12F6N2O3.C15H10F6N2O3.C14H8F6N2O2S.C13H11F3N2O2/c1-2-27-6-9-7-28-14-5-12-10(3-13(14)25(9)8-16(18,19)20)11(17(21,22)23)4-15(26)24-12;1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11;1-13(25)6-26-11-4-9-7(2-10(11)23(13)5-14(16,17)18)8(15(19,20)21)3-12(24)22-9;1-6-13(25)23(5-14(16,17)18)10-2-7-8(15(19,20)21)3-12(24)22-9(7)4-11(10)26-6;15-13(16,17)5-22-9-1-6-7(14(18,19)20)2-11(23)21-8(6)3-10(9)24-4-12(22)25;1-6-5-20-11-4-9-7(2-10(11)17-6)8(13(14,15)16)3-12(19)18-9/h3-5,9H,2,6-8H2,1H3,(H,24,26);2-4,8H,5-7H2,1H3,(H,23,25);2-4,25H,5-6H2,1H3,(H,22,24);2-4,6H,5H2,1H3,(H,22,24);1-3H,4-5H2,(H,21,23);2-4,6,17H,5H2,1H3,(H,18,19)
• InChIKey: IUSWATNERRSSEN-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 336.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.63
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one?

The IUPAC name of 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one (CID 158811423) is 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one.

What is the SMILES notation for 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one?

The canonical SMILES for 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one is CC1(O)COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1.CC1Oc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N(CC(F)(F)F)C1=O.CCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.COCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(=S)N3CC(F)(F)F.

What is the InChIKey of 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one?

The InChIKey is IUSWATNERRSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2O3.C16H14F6N2O3.C15H12F6N2O3.C15H10F6N2O3.C14H8F6N2O2S.C13H11F3N2O2/c1-2-27-6-9-7-28-14-5-12-10(3-13(14)25(9)8-16(18,19)20)11(17(21,22)23)4-15(26)24-12;1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11;1-13(25)6-26-11-4-9-7(2-10(11)23(13)5-14(16,17)18)8(15(19,20)21)3-12(24)22-9;1-6-13(25)23(5-14(16,17)18)10-2-7-8(15(19,20)21)3-12(24)22-9(7)4-11(10)26-6;15-13(16,17)5-22-9-1-6-7(14(18,19)20)2-11(23)21-8(6)3-10(9)24-4-12(22)25;1-6-5-20-11-4-9-7(2-10(11)17-6)8(13(14,15)16)3-12(19)18-9/h3-5,9H,2,6-8H2,1H3,(H,24,26);2-4,8H,5-7H2,1H3,(H,23,25);2-4,25H,5-6H2,1H3,(H,22,24);2-4,6H,5H2,1H3,(H,22,24);1-3H,4-5H2,(H,21,23);2-4,6,17H,5H2,1H3,(H,18,19).

What are the key properties of 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one?

2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one has a molecular weight of 2235.63 g/mol, XLogP of 19.65, 10 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione;2-methyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one;2-sulfanylidene-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 158811423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).