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)

C76H59F33N10O10 — CID 158489856

IUPAC1-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)
SMILESCCN1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2OCC1C.CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F
InChIInChI=1S/C16H14F6N2O2.2C15H9F9N2O2.C15H12F6N2O2.C15H15F3N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11;2*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;1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10;1-3-20-8(2)7-22-13-6-11-9(4-12(13)20)10(15(16,17)18)5-14(21)19-11/h3-5,8H,2,6-7H2,1H3,(H,23,25);2*1-3,11H,4-5H2,(H,25,27);2-4,7H,5-6H2,1H3,(H,22,24);4-6,8H,3,7H2,1-2H3,(H,19,21)/t8-;;;7-;/m1..1./s1
InChIKeyHIOHGJKUZKYDLR-PRDJEDAXSA-N
MW1899.30 g/mol
LogP19.42
Rot. Bonds6

About 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)

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) (PubChem CID 158489856) has the molecular formula C76H59F33N10O10 and a molecular weight of 1899.30 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-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)
PubChem CID158489856
Molecular FormulaC76H59F33N10O10
Molecular Weight1899.30 g/mol
Exact Mass1898.39
IUPAC Name1-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)
SMILESCCN1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2OCC1C.CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F
InChIInChI=1S/C16H14F6N2O2.2C15H9F9N2O2.C15H12F6N2O2.C15H15F3N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11;2*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;1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10;1-3-20-8(2)7-22-13-6-11-9(4-12(13)20)10(15(16,17)18)5-14(21)19-11/h3-5,8H,2,6-7H2,1H3,(H,23,25);2*1-3,11H,4-5H2,(H,25,27);2-4,7H,5-6H2,1H3,(H,22,24);4-6,8H,3,7H2,1-2H3,(H,19,21)/t8-;;;7-;/m1..1./s1
InChIKeyHIOHGJKUZKYDLR-PRDJEDAXSA-N
XLogP19.42
TPSA226.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001899.30
LogP ≤ 519.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 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) 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
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
1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9861044

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCN1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2OCC1C.CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F.O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F.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-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)?
The InChIKey is HIOHGJKUZKYDLR-PRDJEDAXSA-N. The full InChI is InChI=1S/C16H14F6N2O2.2C15H9F9N2O2.C15H12F6N2O2.C15H15F3N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11;2*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;1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10;1-3-20-8(2)7-22-13-6-11-9(4-12(13)20)10(15(16,17)18)5-14(21)19-11/h3-5,8H,2,6-7H2,1H3,(H,23,25);2*1-3,11H,4-5H2,(H,25,27);2-4,7H,5-6H2,1H3,(H,22,24);4-6,8H,3,7H2,1-2H3,(H,19,21)/t8-;;;7-;/m1..1./s1.
What are the key properties of 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)?
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) has a molecular weight of 1899.30 g/mol, XLogP of 19.42, 6 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158489856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).