1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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

C96H95F21N12O12 — CID 158320106

IUPAC1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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
SMILESCC(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1.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
InChIInChI=1S/C18H19F3N2O2.C17H17F3N2O2.C16H14F6N2O2.C16H17F3N2O2.C15H15F3N2O2.C14H13F3N2O2/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;1-9-8-24-15-6-13-11(4-14(15)22(9)7-10-2-3-10)12(17(18,19)20)5-16(23)21-13;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;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;1-2-7-6-21-12-5-10-8(3-11(12)18-7)9(14(15,16)17)4-13(20)19-10/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24);4-6,9-10H,2-3,7-8H2,1H3,(H,21,23);3-5,8H,2,6-7H2,1H3,(H,23,25);5-7,9H,3-4,8H2,1-2H3,(H,20,22);5-8H,3-4H2,1-2H3,(H,19,21);3-5,7,18H,2,6H2,1H3,(H,19,20)
InChIKeyGOSYNILWTPSDMN-UHFFFAOYSA-N
MW2007.85 g/mol
LogP21.39
Rot. Bonds11

About 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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 (PubChem CID 158320106) has the molecular formula C96H95F21N12O12 and a molecular weight of 2007.85 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-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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
PubChem CID158320106
Molecular FormulaC96H95F21N12O12
Molecular Weight2007.85 g/mol
Exact Mass2006.69
IUPAC Name1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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
SMILESCC(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1.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
InChIInChI=1S/C18H19F3N2O2.C17H17F3N2O2.C16H14F6N2O2.C16H17F3N2O2.C15H15F3N2O2.C14H13F3N2O2/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;1-9-8-24-15-6-13-11(4-14(15)22(9)7-10-2-3-10)12(17(18,19)20)5-16(23)21-13;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;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;1-2-7-6-21-12-5-10-8(3-11(12)18-7)9(14(15,16)17)4-13(20)19-10/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24);4-6,9-10H,2-3,7-8H2,1H3,(H,21,23);3-5,8H,2,6-7H2,1H3,(H,23,25);5-7,9H,3-4,8H2,1-2H3,(H,20,22);5-8H,3-4H2,1-2H3,(H,19,21);3-5,7,18H,2,6H2,1H3,(H,19,20)
InChIKeyGOSYNILWTPSDMN-UHFFFAOYSA-N
XLogP21.39
TPSA280.77 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002007.85
LogP ≤ 521.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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 with MolForge

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Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9841413
(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
1-(cyclopropylmethyl)-2-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9905853
2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
CID 18416193
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
bis((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one);(15R)-7-(trifluoromethyl)-17-oxa-4,11-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,6,8-tetraen-5-one;16-(trifluoromethyl)-9-oxa-2,13-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,15,17-tetraen-14-one;1,3,3-trimethyl-9-(trifluoromethyl)-4,6-dihydropyrido[2,3-g]quinoxaline-2,7-dione;1,3,3-trimethyl-9-(trifluoromethyl)-4,6-dihydro-2H-pyrido[3,2-g]quinoxalin-7-one
CID 157561166
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;(2S,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;(2S,3S)-3-ethyl-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;bis(2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one)
CID 158022669
(2R,3S)-3-ethyl-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-(hydroxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;bis(2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one);[7-oxo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-2-yl]methyl acetate
CID 158137079
1-ethyl-2-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;(2R)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;(2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;bis(1-(2,2,2-trifluoroethyl)-2,9-bis(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one)
CID 158489856
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
2-(hydroxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;bis(2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one);[7-oxo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-2-yl]methyl acetate;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 159376174

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-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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?
The IUPAC name of 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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 (CID 158320106) is 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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.
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-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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?
The canonical SMILES for 1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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 is CC(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1.CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1.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.
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-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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?
The InChIKey is GOSYNILWTPSDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.C17H17F3N2O2.C16H14F6N2O2.C16H17F3N2O2.C15H15F3N2O2.C14H13F3N2O2/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;1-9-8-24-15-6-13-11(4-14(15)22(9)7-10-2-3-10)12(17(18,19)20)5-16(23)21-13;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;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;1-2-7-6-21-12-5-10-8(3-11(12)18-7)9(14(15,16)17)4-13(20)19-10/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24);4-6,9-10H,2-3,7-8H2,1H3,(H,21,23);3-5,8H,2,6-7H2,1H3,(H,23,25);5-7,9H,3-4,8H2,1-2H3,(H,20,22);5-8H,3-4H2,1-2H3,(H,19,21);3-5,7,18H,2,6H2,1H3,(H,19,20).
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-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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 has a molecular weight of 2007.85 g/mol, XLogP of 21.39, 11 rotatable bonds, 7 hydrogen bond donors, and 18 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-(cyclopropylmethyl)-2-methyl-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;2-ethyl-9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[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 is sourced from PubChem (CID 158320106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).