6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H16F3N5O3 — CID 136947762

About 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136947762) has the molecular formula C23H16F3N5O3 and a molecular weight of 467.41 g/mol. Its IUPAC name is 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136947762
• Molecular Formula: C23H16F3N5O3
• Molecular Weight: 467.41 g/mol
• Exact Mass: 467.12
• IUPAC Name: 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCc2nc[nH]c(=O)c2C1
• InChI: InChI=1S/C23H16F3N5O3/c24-23(25,26)14-2-6-20(27-10-14)34-15-3-5-17-13(9-15)1-4-19(30-17)22(33)31-8-7-18-16(11-31)21(32)29-12-28-18/h1-6,9-10,12H,7-8,11H2,(H,28,29,32)
• InChIKey: UWKULYUBPBNLJB-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.41
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136947762) is 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCc2nc[nH]c(=O)c2C1.

What is the InChIKey of 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is UWKULYUBPBNLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O3/c24-23(25,26)14-2-6-20(27-10-14)34-15-3-5-17-13(9-15)1-4-19(30-17)22(33)31-8-7-18-16(11-31)21(32)29-12-28-18/h1-6,9-10,12H,7-8,11H2,(H,28,29,32).

What are the key properties of 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 467.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136947762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).