4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C26H18F3N3O3 — CID 58171677

IUPAC4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Oc2ccnc3c2CC(=O)N3)c2cccnc12
InChIInChI=1S/C26H18F3N3O3/c27-26(28,29)17-4-1-3-15(11-17)12-18(33)13-16-6-7-21(19-5-2-9-30-24(16)19)35-22-8-10-31-25-20(22)14-23(34)32-25/h1-11H,12-14H2,(H,31,32,34)
InChIKeyNFURQMOQUWHESJ-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.29
Rot. Bonds6

About 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 58171677) has the molecular formula C26H18F3N3O3 and a molecular weight of 477.44 g/mol. Its IUPAC name is 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID58171677
Molecular FormulaC26H18F3N3O3
Molecular Weight477.44 g/mol
Exact Mass477.13
IUPAC Name4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Oc2ccnc3c2CC(=O)N3)c2cccnc12
InChIInChI=1S/C26H18F3N3O3/c27-26(28,29)17-4-1-3-15(11-17)12-18(33)13-16-6-7-21(19-5-2-9-30-24(16)19)35-22-8-10-31-25-20(22)14-23(34)32-25/h1-11H,12-14H2,(H,31,32,34)
InChIKeyNFURQMOQUWHESJ-UHFFFAOYSA-N
XLogP5.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 58171677) is 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Oc2ccnc3c2CC(=O)N3)c2cccnc12.
What is the InChIKey of 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is NFURQMOQUWHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O3/c27-26(28,29)17-4-1-3-15(11-17)12-18(33)13-16-6-7-21(19-5-2-9-30-24(16)19)35-22-8-10-31-25-20(22)14-23(34)32-25/h1-11H,12-14H2,(H,31,32,34).
What are the key properties of 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 477.44 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 58171677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).