(6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate

C24H21F3N4O4 — CID 121257639

IUPAC(6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESO=C(Oc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H21F3N4O4/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)31(11-14-34-19)23(32)35-21-6-2-5-20(29-21)30-9-12-33-13-10-30/h1-8,15H,9-14H2
InChIKeyRQFXHMGJLFDOFT-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.40
Rot. Bonds3

About (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate

(6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (PubChem CID 121257639) has the molecular formula C24H21F3N4O4 and a molecular weight of 486.45 g/mol. Its IUPAC name is (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Name(6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
PubChem CID121257639
Molecular FormulaC24H21F3N4O4
Molecular Weight486.45 g/mol
Exact Mass486.15
IUPAC Name(6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESO=C(Oc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H21F3N4O4/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)31(11-14-34-19)23(32)35-21-6-2-5-20(29-21)30-9-12-33-13-10-30/h1-8,15H,9-14H2
InChIKeyRQFXHMGJLFDOFT-UHFFFAOYSA-N
XLogP4.40
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The IUPAC name of (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (CID 121257639) is (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is O=C(Oc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The InChIKey is RQFXHMGJLFDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)31(11-14-34-19)23(32)35-21-6-2-5-20(29-21)30-9-12-33-13-10-30/h1-8,15H,9-14H2.
What are the key properties of (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
(6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate has a molecular weight of 486.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-yl-2-pyridinyl) 6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 121257639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).