3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide

C21H13F3N4O2 — CID 155288493

IUPAC3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(Oc3cccnc3)cnc2c1
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)19-6-5-15(10-27-19)28-20(29)14-4-3-13-8-17(12-26-18(13)9-14)30-16-2-1-7-25-11-16/h1-12H,(H,28,29)
InChIKeyKIPKUILTWOOEMZ-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.09
Rot. Bonds4

About 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide

3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide (PubChem CID 155288493) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
PubChem CID155288493
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(Oc3cccnc3)cnc2c1
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)19-6-5-15(10-27-19)28-20(29)14-4-3-13-8-17(12-26-18(13)9-14)30-16-2-1-7-25-11-16/h1-12H,(H,28,29)
InChIKeyKIPKUILTWOOEMZ-UHFFFAOYSA-N
XLogP5.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide (CID 155288493) is 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(Oc3cccnc3)cnc2c1.
What is the InChIKey of 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
The InChIKey is KIPKUILTWOOEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-21(23,24)19-6-5-15(10-27-19)28-20(29)14-4-3-13-8-17(12-26-18(13)9-14)30-16-2-1-7-25-11-16/h1-12H,(H,28,29).
What are the key properties of 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yloxy-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 155288493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).