8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline

C21H13FN4 — CID 135145482

IUPAC8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
SMILESFc1cc(-c2c[nH]c3ncccc23)cc2c(-c3cccnc3)ccnc12
InChIInChI=1S/C21H13FN4/c22-19-10-14(18-12-26-21-16(18)4-2-7-25-21)9-17-15(5-8-24-20(17)19)13-3-1-6-23-11-13/h1-12H,(H,25,26)
InChIKeyUZKNEKQQAVXEOR-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.98
Rot. Bonds2

About 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline

8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline (PubChem CID 135145482) has the molecular formula C21H13FN4 and a molecular weight of 340.36 g/mol. Its IUPAC name is 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
PubChem CID135145482
Molecular FormulaC21H13FN4
Molecular Weight340.36 g/mol
Exact Mass340.11
IUPAC Name8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
SMILESFc1cc(-c2c[nH]c3ncccc23)cc2c(-c3cccnc3)ccnc12
InChIInChI=1S/C21H13FN4/c22-19-10-14(18-12-26-21-16(18)4-2-7-25-21)9-17-15(5-8-24-20(17)19)13-3-1-6-23-11-13/h1-12H,(H,25,26)
InChIKeyUZKNEKQQAVXEOR-UHFFFAOYSA-N
XLogP4.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The IUPAC name of 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline (CID 135145482) is 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The canonical SMILES for 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline is Fc1cc(-c2c[nH]c3ncccc23)cc2c(-c3cccnc3)ccnc12.
What is the InChIKey of 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
The InChIKey is UZKNEKQQAVXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4/c22-19-10-14(18-12-26-21-16(18)4-2-7-25-21)9-17-15(5-8-24-20(17)19)13-3-1-6-23-11-13/h1-12H,(H,25,26).
What are the key properties of 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline?
8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline has a molecular weight of 340.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline is sourced from PubChem (CID 135145482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).