potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate

C15H8BrKN2O2 — CID 23679856

IUPACpotassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nc2ccc(Br)cc12.[K+]
InChIInChI=1S/C15H9BrN2O2.K/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9;/h1-8H,(H,19,20);/q;+1/p-1
InChIKeyZDLLFOWRIGESMT-UHFFFAOYSA-M
MW367.24 g/mol
LogP-0.57
Rot. Bonds2

About potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate

potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate (PubChem CID 23679856) has the molecular formula C15H8BrKN2O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate
PubChem CID23679856
Molecular FormulaC15H8BrKN2O2
Molecular Weight367.24 g/mol
Exact Mass365.94
IUPAC Namepotassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nc2ccc(Br)cc12.[K+]
InChIInChI=1S/C15H9BrN2O2.K/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9;/h1-8H,(H,19,20);/q;+1/p-1
InChIKeyZDLLFOWRIGESMT-UHFFFAOYSA-M
XLogP-0.57
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate?
The IUPAC name of potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate (CID 23679856) is potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate.
What is the SMILES notation for potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate?
The canonical SMILES for potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate is O=C([O-])c1cc(-c2cccnc2)nc2ccc(Br)cc12.[K+].
What is the InChIKey of potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate?
The InChIKey is ZDLLFOWRIGESMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9BrN2O2.K/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9;/h1-8H,(H,19,20);/q;+1/p-1.
What are the key properties of potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate?
potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate has a molecular weight of 367.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-bromo-2-pyridin-3-ylquinoline-4-carboxylate is sourced from PubChem (CID 23679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).