N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C23H23F3N4O3 — CID 118273420

About N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273420) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
• PubChem CID: 118273420
• Molecular Formula: C23H23F3N4O3
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
• SMILES: CCN(CC)C(=O)CCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
• InChI: InChI=1S/C23H23F3N4O3/c1-3-30(4-2)21(31)11-12-27-22(32)19-8-5-15-13-17(7-9-18(15)29-19)33-20-10-6-16(14-28-20)23(24,25)26/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,32)
• InChIKey: BDPSUZAMBCEYNR-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273420) is N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is CCN(CC)C(=O)CCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.

What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The InChIKey is BDPSUZAMBCEYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-3-30(4-2)21(31)11-12-27-22(32)19-8-5-15-13-17(7-9-18(15)29-19)33-20-10-6-16(14-28-20)23(24,25)26/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,32).

What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).