6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid

C25H18FN3O3 — CID 78225321

IUPAC6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid
SMILESCc1cc2c(C3=CCC=NC3=O)c(C(=O)O)n(Cc3cnc4ccccc4c3)c2cc1F
InChIInChI=1S/C25H18FN3O3/c1-14-9-18-21(11-19(14)26)29(13-15-10-16-5-2-3-7-20(16)28-12-15)23(25(31)32)22(18)17-6-4-8-27-24(17)30/h2-3,5-12H,4,13H2,1H3,(H,31,32)
InChIKeyTXENAECLGNXBIQ-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.77
Rot. Bonds4

About 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid

6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid (PubChem CID 78225321) has the molecular formula C25H18FN3O3 and a molecular weight of 427.44 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid
PubChem CID78225321
Molecular FormulaC25H18FN3O3
Molecular Weight427.44 g/mol
Exact Mass427.13
IUPAC Name6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid
SMILESCc1cc2c(C3=CCC=NC3=O)c(C(=O)O)n(Cc3cnc4ccccc4c3)c2cc1F
InChIInChI=1S/C25H18FN3O3/c1-14-9-18-21(11-19(14)26)29(13-15-10-16-5-2-3-7-20(16)28-12-15)23(25(31)32)22(18)17-6-4-8-27-24(17)30/h2-3,5-12H,4,13H2,1H3,(H,31,32)
InChIKeyTXENAECLGNXBIQ-UHFFFAOYSA-N
XLogP4.77
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid (CID 78225321) is 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid is Cc1cc2c(C3=CCC=NC3=O)c(C(=O)O)n(Cc3cnc4ccccc4c3)c2cc1F.
What is the InChIKey of 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid?
The InChIKey is TXENAECLGNXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O3/c1-14-9-18-21(11-19(14)26)29(13-15-10-16-5-2-3-7-20(16)28-12-15)23(25(31)32)22(18)17-6-4-8-27-24(17)30/h2-3,5-12H,4,13H2,1H3,(H,31,32).
What are the key properties of 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid?
6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid has a molecular weight of 427.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-(6-oxo-3H-pyridin-5-yl)-1-(quinolin-3-ylmethyl)indole-2-carboxylic acid is sourced from PubChem (CID 78225321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).