sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate

C26H18FN2NaO2 — CID 23699180

IUPACsodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate
SMILESCc1c(-c2cn(C)c3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C26H19FN2O2.Na/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16;/h3-14H,1-2H3,(H,30,31);/q;+1/p-1
InChIKeyXRJFBIFKGWJOJD-UHFFFAOYSA-M
MW432.43 g/mol
LogP1.88
Rot. Bonds3

About sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate

sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate (PubChem CID 23699180) has the molecular formula C26H18FN2NaO2 and a molecular weight of 432.43 g/mol. Its IUPAC name is sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate
PubChem CID23699180
Molecular FormulaC26H18FN2NaO2
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Namesodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate
SMILESCc1c(-c2cn(C)c3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C26H19FN2O2.Na/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16;/h3-14H,1-2H3,(H,30,31);/q;+1/p-1
InChIKeyXRJFBIFKGWJOJD-UHFFFAOYSA-M
XLogP1.88
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate?
The IUPAC name of sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate (CID 23699180) is sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate.
What is the SMILES notation for sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate?
The canonical SMILES for sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate is Cc1c(-c2cn(C)c3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-].[Na+].
What is the InChIKey of sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate?
The InChIKey is XRJFBIFKGWJOJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H19FN2O2.Na/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16;/h3-14H,1-2H3,(H,30,31);/q;+1/p-1.
What are the key properties of sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate?
sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate has a molecular weight of 432.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate is sourced from PubChem (CID 23699180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).