2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

C89H67F33N12O16S — CID 157375594

About 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (PubChem CID 157375594) has the molecular formula C89H67F33N12O16S and a molecular weight of 2219.58 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.

Molecular Properties

• Compound Name: 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
• PubChem CID: 157375594
• Molecular Formula: C89H67F33N12O16S
• Molecular Weight: 2219.58 g/mol
• Exact Mass: 2218.40
• IUPAC Name: 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
• 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.CCCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=C1COc2cc3[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/C18H18F6N2O3.C15H12F6N2O3.C15H10F6N2O3.C14H8F6N2O3.C14H8F6N2O2S.C13H11F3N2O2/c1-2-3-28-7-10-8-29-15-6-13-11(4-14(15)26(10)9-17(19,20)21)12(18(22,23)24)5-16(27)25-13;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)25-4-12(22)24;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/h4-6,10H,2-3,7-9H2,1H3,(H,25,27);2-4,25H,5-6H2,1H3,(H,22,24);2-4,6H,5H2,1H3,(H,22,24);2*1-3H,4-5H2,(H,21,23);2-4,6,17H,5H2,1H3,(H,18,19)
• InChIKey: BKHFOGRDESUWGJ-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 344.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.58
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (CID 157375594) is 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.

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

The canonical SMILES for 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione 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.CCCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=C1COc2cc3[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-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?

The InChIKey is BKHFOGRDESUWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2O3.C15H12F6N2O3.C15H10F6N2O3.C14H8F6N2O3.C14H8F6N2O2S.C13H11F3N2O2/c1-2-3-28-7-10-8-29-15-6-13-11(4-14(15)26(10)9-17(19,20)21)12(18(22,23)24)5-16(27)25-13;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)25-4-12(22)24;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/h4-6,10H,2-3,7-9H2,1H3,(H,25,27);2-4,25H,5-6H2,1H3,(H,22,24);2-4,6H,5H2,1H3,(H,22,24);2*1-3H,4-5H2,(H,21,23);2-4,6,17H,5H2,1H3,(H,18,19).

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

2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione has a molecular weight of 2219.58 g/mol, XLogP of 19.55, 9 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydropyrido[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-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[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;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is sourced from PubChem (CID 157375594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).