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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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

C80H68F30N10O15 — CID 160906050

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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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-(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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 160906050) has the molecular formula C80H68F30N10O15 and a molecular weight of 1979.42 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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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-(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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: 160906050
• Molecular Formula: C80H68F30N10O15
• Molecular Weight: 1979.42 g/mol
• Exact Mass: 1978.44
• 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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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.CCCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.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=C1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F
• InChI: InChI=1S/C18H18F6N2O3.C17H16F6N2O3.C16H14F6N2O3.C15H12F6N2O3.C14H8F6N2O3/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;1-2-27-6-9-7-28-14-5-12-10(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;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/h4-6,10H,2-3,7-9H2,1H3,(H,25,27);3-5,9H,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);1-3H,4-5H2,(H,21,23)
• InChIKey: SQDPDMLHOCCSKP-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 291.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1979.42
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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-(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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 160906050) 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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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-(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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-(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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.CCCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.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=C1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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 SQDPDMLHOCCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2O3.C17H16F6N2O3.C16H14F6N2O3.C15H12F6N2O3.C14H8F6N2O3/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;1-2-27-6-9-7-28-14-5-12-10(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;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/h4-6,10H,2-3,7-9H2,1H3,(H,25,27);3-5,9H,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);1-3H,4-5H2,(H,21,23).

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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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-(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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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 1979.42 g/mol, XLogP of 16.99, 14 rotatable bonds, 6 hydrogen bond donors, and 19 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;2-(propoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-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 160906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).