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

C23H16FN3O2S — CID 135145588

IUPAC8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(F)c4ncccc4c3)c3cccnc32)cc1
InChIInChI=1S/C23H16FN3O2S/c1-15-6-8-18(9-7-15)30(28,29)27-14-20(19-5-3-11-26-23(19)27)17-12-16-4-2-10-25-22(16)21(24)13-17/h2-14H,1H3
InChIKeyZCUQBQDYVXVWPY-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.94
Rot. Bonds3

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

8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline (PubChem CID 135145588) has the molecular formula C23H16FN3O2S and a molecular weight of 417.47 g/mol. Its IUPAC name is 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline
PubChem CID135145588
Molecular FormulaC23H16FN3O2S
Molecular Weight417.47 g/mol
Exact Mass417.09
IUPAC Name8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(F)c4ncccc4c3)c3cccnc32)cc1
InChIInChI=1S/C23H16FN3O2S/c1-15-6-8-18(9-7-15)30(28,29)27-14-20(19-5-3-11-26-23(19)27)17-12-16-4-2-10-25-22(16)21(24)13-17/h2-14H,1H3
InChIKeyZCUQBQDYVXVWPY-UHFFFAOYSA-N
XLogP4.94
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline?
The IUPAC name of 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline (CID 135145588) is 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline?
The canonical SMILES for 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline is Cc1ccc(S(=O)(=O)n2cc(-c3cc(F)c4ncccc4c3)c3cccnc32)cc1.
What is the InChIKey of 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline?
The InChIKey is ZCUQBQDYVXVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2S/c1-15-6-8-18(9-7-15)30(28,29)27-14-20(19-5-3-11-26-23(19)27)17-12-16-4-2-10-25-22(16)21(24)13-17/h2-14H,1H3.
What are the key properties of 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline?
8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline has a molecular weight of 417.47 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline is sourced from PubChem (CID 135145588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).