4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C26H20FN3O3 — CID 58171707

IUPAC4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4c3CC(=O)N4)c3cccnc23)c1
InChIInChI=1S/C26H20FN3O3/c1-15-4-6-21(27)17(11-15)13-18(31)12-16-5-7-22(19-3-2-9-28-25(16)19)33-23-8-10-29-26-20(23)14-24(32)30-26/h2-11H,12-14H2,1H3,(H,29,30,32)
InChIKeyVQXZNXFLPPWKLV-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.72
Rot. Bonds6

About 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 58171707) has the molecular formula C26H20FN3O3 and a molecular weight of 441.46 g/mol. Its IUPAC name is 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID58171707
Molecular FormulaC26H20FN3O3
Molecular Weight441.46 g/mol
Exact Mass441.15
IUPAC Name4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4c3CC(=O)N4)c3cccnc23)c1
InChIInChI=1S/C26H20FN3O3/c1-15-4-6-21(27)17(11-15)13-18(31)12-16-5-7-22(19-3-2-9-28-25(16)19)33-23-8-10-29-26-20(23)14-24(32)30-26/h2-11H,12-14H2,1H3,(H,29,30,32)
InChIKeyVQXZNXFLPPWKLV-UHFFFAOYSA-N
XLogP4.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 58171707) is 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4c3CC(=O)N4)c3cccnc23)c1.
What is the InChIKey of 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is VQXZNXFLPPWKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3/c1-15-4-6-21(27)17(11-15)13-18(31)12-16-5-7-22(19-3-2-9-28-25(16)19)33-23-8-10-29-26-20(23)14-24(32)30-26/h2-11H,12-14H2,1H3,(H,29,30,32).
What are the key properties of 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 441.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 58171707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).