N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C20H14F3N3O4 — CID 118273952

IUPACN-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(N[C@@H]1CCOC1=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
InChIKeyBHHALVLOZQTWNJ-MRXNPFEDSA-N
MW417.34 g/mol
LogP3.49
Rot. Bonds4

About N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273952) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273952
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC NameN-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(N[C@@H]1CCOC1=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
InChIKeyBHHALVLOZQTWNJ-MRXNPFEDSA-N
XLogP3.49
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273952) is N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is O=C(N[C@@H]1CCOC1=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.
What is the InChIKey of N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is BHHALVLOZQTWNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1.
What are the key properties of N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxooxolan-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).