1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one

C80H74F24N10O10 — CID 162075331

IUPAC1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
SMILESCC(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F
InChIInChI=1S/C18H19F3N2O2.C16H14F6N2O2.C16H17F3N2O2.C15H9F9N2O2.C15H15F3N2O2/c1-2-11-9-25-16-7-14-12(5-15(16)23(11)8-10-3-4-10)13(18(19,20)21)6-17(24)22-14;1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11;1-3-9-8-23-14-7-12-10(5-13(14)21(9)4-2)11(16(17,18)19)6-15(22)20-12;16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24;1-8(2)20-3-4-22-13-7-11-9(5-12(13)20)10(15(16,17)18)6-14(21)19-11/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24);3-5,8H,2,6-7H2,1H3,(H,23,25);5-7,9H,3-4,8H2,1-2H3,(H,20,22);1-3,11H,4-5H2,(H,25,27);5-8H,3-4H2,1-2H3,(H,19,21)
InChIKeyZBQAJAUQFJKIJH-UHFFFAOYSA-N
MW1791.48 g/mol
LogP18.96
Rot. Bonds9

About 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one

1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one (PubChem CID 162075331) has the molecular formula C80H74F24N10O10 and a molecular weight of 1791.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
PubChem CID162075331
Molecular FormulaC80H74F24N10O10
Molecular Weight1791.48 g/mol
Exact Mass1790.52
IUPAC Name1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
SMILESCC(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F
InChIInChI=1S/C18H19F3N2O2.C16H14F6N2O2.C16H17F3N2O2.C15H9F9N2O2.C15H15F3N2O2/c1-2-11-9-25-16-7-14-12(5-15(16)23(11)8-10-3-4-10)13(18(19,20)21)6-17(24)22-14;1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11;1-3-9-8-23-14-7-12-10(5-13(14)21(9)4-2)11(16(17,18)19)6-15(22)20-12;16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24;1-8(2)20-3-4-22-13-7-11-9(5-12(13)20)10(15(16,17)18)6-14(21)19-11/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24);3-5,8H,2,6-7H2,1H3,(H,23,25);5-7,9H,3-4,8H2,1-2H3,(H,20,22);1-3,11H,4-5H2,(H,25,27);5-8H,3-4H2,1-2H3,(H,19,21)
InChIKeyZBQAJAUQFJKIJH-UHFFFAOYSA-N
XLogP18.96
TPSA226.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001791.48
LogP ≤ 518.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one with MolForge

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Related Compounds

(2S)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9885493
(2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9951041
1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9841413
2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9842832
(2R)-2-(propan-2-yl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9843571
(2R)-1,2,3,6-tetrahydro-2-isobutyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-7H-[1,4]oxazino[3,2-g]quinolin-7-one
CID 9844328
4-(Trifluoromethyl)-1,2,7,8,9,10,10a,11-octahydro-12-oxa-1,6000100-diazatetraphen-2-one
CID 9862027
(2R)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9864637
1-(cyclopropylmethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9905296
1-(2-methylpropyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9905402
1-(cyclopropylmethyl)-2-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9905853
1,2-diethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9927342

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
The IUPAC name of 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one (CID 162075331) is 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
The canonical SMILES for 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one is CC(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
The InChIKey is ZBQAJAUQFJKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.C16H14F6N2O2.C16H17F3N2O2.C15H9F9N2O2.C15H15F3N2O2/c1-2-11-9-25-16-7-14-12(5-15(16)23(11)8-10-3-4-10)13(18(19,20)21)6-17(24)22-14;1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11;1-3-9-8-23-14-7-12-10(5-13(14)21(9)4-2)11(16(17,18)19)6-15(22)20-12;16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24;1-8(2)20-3-4-22-13-7-11-9(5-12(13)20)10(15(16,17)18)6-14(21)19-11/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24);3-5,8H,2,6-7H2,1H3,(H,23,25);5-7,9H,3-4,8H2,1-2H3,(H,20,22);1-3,11H,4-5H2,(H,25,27);5-8H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one has a molecular weight of 1791.48 g/mol, XLogP of 18.96, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1,2-diethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 162075331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).