1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one

C84H71F25N12O12 — CID 161410217

IUPAC1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
SMILESCCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CCN1CCOc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CN1CCOc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.O=c1[nH]c2cc3c(cc2c(C(F)(F)F)c1F)N(CC(F)(F)F)CCO3.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F
InChIInChI=1S/C15H15F3N2O2.C14H9F7N2O2.C14H10F6N2O2.2C14H13F3N2O2.C13H11F3N2O2/c1-3-20-4-5-22-13-8-11-9(6-12(13)20)10(15(16,17)18)7-14(21)19(11)2;15-11-10(14(19,20)21)6-3-8-9(4-7(6)22-12(11)24)25-2-1-23(8)5-13(16,17)18;15-13(16,17)6-22-1-2-24-11-5-9-7(3-10(11)22)8(14(18,19)20)4-12(23)21-9;1-18-3-4-21-12-7-10-8(5-11(12)18)9(14(15,16)17)6-13(20)19(10)2;1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10;1-18-2-3-20-11-6-9-7(4-10(11)18)8(13(14,15)16)5-12(19)17-9/h6-8H,3-5H2,1-2H3;3-4H,1-2,5H2,(H,22,24);3-5H,1-2,6H2,(H,21,23);5-7H,3-4H2,1-2H3;5-7H,2-4H2,1H3,(H,18,20);4-6H,2-3H2,1H3,(H,17,19)
InChIKeyVVJDNAXCPCOAOU-UHFFFAOYSA-N
MW1915.51 g/mol
LogP17.06
Rot. Bonds4

About 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one

1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one (PubChem CID 161410217) has the molecular formula C84H71F25N12O12 and a molecular weight of 1915.51 g/mol. Its IUPAC name is 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one.

Molecular Properties

Compound Name1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
PubChem CID161410217
Molecular FormulaC84H71F25N12O12
Molecular Weight1915.51 g/mol
Exact Mass1914.49
IUPAC Name1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
SMILESCCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CCN1CCOc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CN1CCOc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.O=c1[nH]c2cc3c(cc2c(C(F)(F)F)c1F)N(CC(F)(F)F)CCO3.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F
InChIInChI=1S/C15H15F3N2O2.C14H9F7N2O2.C14H10F6N2O2.2C14H13F3N2O2.C13H11F3N2O2/c1-3-20-4-5-22-13-8-11-9(6-12(13)20)10(15(16,17)18)7-14(21)19(11)2;15-11-10(14(19,20)21)6-3-8-9(4-7(6)22-12(11)24)25-2-1-23(8)5-13(16,17)18;15-13(16,17)6-22-1-2-24-11-5-9-7(3-10(11)22)8(14(18,19)20)4-12(23)21-9;1-18-3-4-21-12-7-10-8(5-11(12)18)9(14(15,16)17)6-13(20)19(10)2;1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10;1-18-2-3-20-11-6-9-7(4-10(11)18)8(13(14,15)16)5-12(19)17-9/h6-8H,3-5H2,1-2H3;3-4H,1-2,5H2,(H,22,24);3-5H,1-2,6H2,(H,21,23);5-7H,3-4H2,1-2H3;5-7H,2-4H2,1H3,(H,18,20);4-6H,2-3H2,1H3,(H,17,19)
InChIKeyVVJDNAXCPCOAOU-UHFFFAOYSA-N
XLogP17.06
TPSA250.26 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.51
LogP ≤ 517.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(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
1,3-dimethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9817717
1-propyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9818221
3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9820510
1-ethyl-2-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9839747
1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9841404
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
1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9861044
4-(Trifluoromethyl)-1,2,7,8,9,10,10a,11-octahydro-12-oxa-1,6000100-diazatetraphen-2-one
CID 9862027

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
The IUPAC name of 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one (CID 161410217) is 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one.
What is the SMILES notation for 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
The canonical SMILES for 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one is CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CCN1CCOc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21.CN1CCOc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C.O=c1[nH]c2cc3c(cc2c(C(F)(F)F)c1F)N(CC(F)(F)F)CCO3.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F.
What is the InChIKey of 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
The InChIKey is VVJDNAXCPCOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2.C14H9F7N2O2.C14H10F6N2O2.2C14H13F3N2O2.C13H11F3N2O2/c1-3-20-4-5-22-13-8-11-9(6-12(13)20)10(15(16,17)18)7-14(21)19(11)2;15-11-10(14(19,20)21)6-3-8-9(4-7(6)22-12(11)24)25-2-1-23(8)5-13(16,17)18;15-13(16,17)6-22-1-2-24-11-5-9-7(3-10(11)22)8(14(18,19)20)4-12(23)21-9;1-18-3-4-21-12-7-10-8(5-11(12)18)9(14(15,16)17)6-13(20)19(10)2;1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10;1-18-2-3-20-11-6-9-7(4-10(11)18)8(13(14,15)16)5-12(19)17-9/h6-8H,3-5H2,1-2H3;3-4H,1-2,5H2,(H,22,24);3-5H,1-2,6H2,(H,21,23);5-7H,3-4H2,1-2H3;5-7H,2-4H2,1H3,(H,18,20);4-6H,2-3H2,1H3,(H,17,19).
What are the key properties of 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one?
1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one has a molecular weight of 1915.51 g/mol, XLogP of 17.06, 4 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-6-methyl-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazin-7-one;1-ethyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;8-fluoro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 161410217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).