8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid

C24H16FN3O3 — CID 46225110

IUPAC8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)cn2)c2c(F)cccc2c1=O
InChIInChI=1S/C24H16FN3O3/c25-20-3-1-2-18-22(20)28(13-19(23(18)29)24(30)31)12-17-6-4-16(11-27-17)14-5-7-21-15(10-14)8-9-26-21/h1-11,13,26H,12H2,(H,30,31)
InChIKeySBIPYYDFKAQRCB-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.43
Rot. Bonds4

About 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid

8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 46225110) has the molecular formula C24H16FN3O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID46225110
Molecular FormulaC24H16FN3O3
Molecular Weight413.41 g/mol
Exact Mass413.12
IUPAC Name8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)cn2)c2c(F)cccc2c1=O
InChIInChI=1S/C24H16FN3O3/c25-20-3-1-2-18-22(20)28(13-19(23(18)29)24(30)31)12-17-6-4-16(11-27-17)14-5-7-21-15(10-14)8-9-26-21/h1-11,13,26H,12H2,(H,30,31)
InChIKeySBIPYYDFKAQRCB-UHFFFAOYSA-N
XLogP4.43
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid (CID 46225110) is 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)cn2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is SBIPYYDFKAQRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3/c25-20-3-1-2-18-22(20)28(13-19(23(18)29)24(30)31)12-17-6-4-16(11-27-17)14-5-7-21-15(10-14)8-9-26-21/h1-11,13,26H,12H2,(H,30,31).
What are the key properties of 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 413.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[[5-(1H-indol-5-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46225110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).