(4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C25H25F3N4O3 — CID 118273900

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C25H25F3N4O3/c26-25(27,28)18-2-6-23(29-16-18)35-20-3-5-21-17(15-20)1-4-22(30-21)24(33)32-9-7-19(8-10-32)31-11-13-34-14-12-31/h1-6,15-16,19H,7-14H2
InChIKeyFFWDDSSNXRZFBF-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.38
Rot. Bonds4

About (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

(4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273900) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273900
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C25H25F3N4O3/c26-25(27,28)18-2-6-23(29-16-18)35-20-3-5-21-17(15-20)1-4-22(30-21)24(33)32-9-7-19(8-10-32)31-11-13-34-14-12-31/h1-6,15-16,19H,7-14H2
InChIKeyFFWDDSSNXRZFBF-UHFFFAOYSA-N
XLogP4.38
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273900) is (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is FFWDDSSNXRZFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c26-25(27,28)18-2-6-23(29-16-18)35-20-3-5-21-17(15-20)1-4-22(30-21)24(33)32-9-7-19(8-10-32)31-11-13-34-14-12-31/h1-6,15-16,19H,7-14H2.
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 486.49 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).