N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C23H21F3N4O4 — CID 118273384

IUPACN-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESCC1(O)CCN(C(=O)CNC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1
InChIInChI=1S/C23H21F3N4O4/c1-22(33)8-9-30(13-22)20(31)12-28-21(32)18-5-2-14-10-16(4-6-17(14)29-18)34-19-7-3-15(11-27-19)23(24,25)26/h2-7,10-11,33H,8-9,12-13H2,1H3,(H,28,32)
InChIKeyZBMJZEFAMYMVFG-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273384) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273384
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC NameN-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESCC1(O)CCN(C(=O)CNC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1
InChIInChI=1S/C23H21F3N4O4/c1-22(33)8-9-30(13-22)20(31)12-28-21(32)18-5-2-14-10-16(4-6-17(14)29-18)34-19-7-3-15(11-27-19)23(24,25)26/h2-7,10-11,33H,8-9,12-13H2,1H3,(H,28,32)
InChIKeyZBMJZEFAMYMVFG-UHFFFAOYSA-N
XLogP3.15
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273384) is N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is CC1(O)CCN(C(=O)CNC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is ZBMJZEFAMYMVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-22(33)8-9-30(13-22)20(31)12-28-21(32)18-5-2-14-10-16(4-6-17(14)29-18)34-19-7-3-15(11-27-19)23(24,25)26/h2-7,10-11,33H,8-9,12-13H2,1H3,(H,28,32).
What are the key properties of N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).