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

C76H65F18N11O10 — CID 158330450

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

1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one (PubChem CID 158330450) has the molecular formula C76H65F18N11O10 and a molecular weight of 1634.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one
• PubChem CID: 158330450
• Molecular Formula: C76H65F18N11O10
• Molecular Weight: 1634.39 g/mol
• Exact Mass: 1633.46
• IUPAC Name: 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one
• SMILES: CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CCC1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccn1
• InChI: InChI=1S/C18H14F3N3O2.C16H15F3N2O2.C15H12F6N2O2.C15H15F3N2O2.C12H9F3N2O2/c19-18(20,21)13-8-17(25)23-14-9-16-15(7-12(13)14)24(5-6-26-16)10-11-3-1-2-4-22-11;17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21(3-4-23-14)8-9-1-2-9;1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10;1-3-8-7-20(2)12-4-9-10(15(16,17)18)5-14(21)19-11(9)6-13(12)22-8;13-12(14,15)7-4-11(18)17-8-5-10-9(3-6(7)8)16-1-2-19-10/h1-4,7-9H,5-6,10H2,(H,23,25);5-7,9H,1-4,8H2,(H,20,22);2-4,7H,5-6H2,1H3,(H,22,24);4-6,8H,3,7H2,1-2H3,(H,19,21);3-5,16H,1-2H2,(H,17,18)
• InChIKey: GPYAVJFKOLQSDK-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 248.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1634.39
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one?

The IUPAC name of 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one (CID 158330450) is 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one.

What is the SMILES notation for 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one?

The canonical SMILES for 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one is CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.CCC1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccn1.

What is the InChIKey of 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one?

The InChIKey is GPYAVJFKOLQSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2.C16H15F3N2O2.C15H12F6N2O2.C15H15F3N2O2.C12H9F3N2O2/c19-18(20,21)13-8-17(25)23-14-9-16-15(7-12(13)14)24(5-6-26-16)10-11-3-1-2-4-22-11;17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21(3-4-23-14)8-9-1-2-9;1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10;1-3-8-7-20(2)12-4-9-10(15(16,17)18)5-14(21)19-11(9)6-13(12)22-8;13-12(14,15)7-4-11(18)17-8-5-10-9(3-6(7)8)16-1-2-19-10/h1-4,7-9H,5-6,10H2,(H,23,25);5-7,9H,1-4,8H2,(H,20,22);2-4,7H,5-6H2,1H3,(H,22,24);4-6,8H,3,7H2,1-2H3,(H,19,21);3-5,16H,1-2H2,(H,17,18).

What are the key properties of 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one?

1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one has a molecular weight of 1634.39 g/mol, XLogP of 15.70, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;3-ethyl-1-methyl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;1-(pyridin-2-ylmethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one;9-(trifluoromethyl)-1,2,3,6-tetrahydropyrido[3,2-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 158330450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).