potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate

C17H13KN2O2 — CID 23696874

IUPACpotassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate
SMILESCc1ccc2c(C(=O)[O-])cc(-c3ccccn3)nc2c1C.[K+]
InChIInChI=1S/C17H14N2O2.K/c1-10-6-7-12-13(17(20)21)9-15(19-16(12)11(10)2)14-5-3-4-8-18-14;/h3-9H,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyLTPFMUVOTPRKNJ-UHFFFAOYSA-M
MW316.40 g/mol
LogP-0.72
Rot. Bonds2

About potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate

potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 23696874) has the molecular formula C17H13KN2O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID23696874
Molecular FormulaC17H13KN2O2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Namepotassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate
SMILESCc1ccc2c(C(=O)[O-])cc(-c3ccccn3)nc2c1C.[K+]
InChIInChI=1S/C17H14N2O2.K/c1-10-6-7-12-13(17(20)21)9-15(19-16(12)11(10)2)14-5-3-4-8-18-14;/h3-9H,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyLTPFMUVOTPRKNJ-UHFFFAOYSA-M
XLogP-0.72
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate (CID 23696874) is potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate is Cc1ccc2c(C(=O)[O-])cc(-c3ccccn3)nc2c1C.[K+].
What is the InChIKey of potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is LTPFMUVOTPRKNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N2O2.K/c1-10-6-7-12-13(17(20)21)9-15(19-16(12)11(10)2)14-5-3-4-8-18-14;/h3-9H,1-2H3,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate?
potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 316.40 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 23696874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).