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

C25H16FN2NaO2 — CID 23699178

IUPACsodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate
SMILESCc1c(-n2ccc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C25H17FN2O2.Na/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16;/h2-14H,1H3,(H,29,30);/q;+1/p-1
InChIKeyWJFBNZNOLCOIGU-UHFFFAOYSA-M
MW418.40 g/mol
LogP1.66
Rot. Bonds3

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

sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate (PubChem CID 23699178) has the molecular formula C25H16FN2NaO2 and a molecular weight of 418.40 g/mol. Its IUPAC name is sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate
PubChem CID23699178
Molecular FormulaC25H16FN2NaO2
Molecular Weight418.40 g/mol
Exact Mass418.11
IUPAC Namesodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate
SMILESCc1c(-n2ccc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C25H17FN2O2.Na/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16;/h2-14H,1H3,(H,29,30);/q;+1/p-1
InChIKeyWJFBNZNOLCOIGU-UHFFFAOYSA-M
XLogP1.66
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 51.66
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-(4-phenylindol-1-yl)quinoline-4-carboxylate?
The IUPAC name of sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate (CID 23699178) is sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate?
The canonical SMILES for sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate is Cc1c(-n2ccc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-].[Na+].
What is the InChIKey of sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate?
The InChIKey is WJFBNZNOLCOIGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H17FN2O2.Na/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16;/h2-14H,1H3,(H,29,30);/q;+1/p-1.
What are the key properties of sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate?
sodium 6-fluoro-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate has a molecular weight of 418.40 g/mol, XLogP of 1.66, 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-(4-phenylindol-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 23699178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).