potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride

C12H15KN2O3 — CID 173375657

IUPACpotassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride
SMILESCN(C)c1ccc2c(c1)NC(=O)C(C(=O)O)C2.[H-].[K+]
InChIInChI=1S/C12H14N2O3.K.H/c1-14(2)8-4-3-7-5-9(12(16)17)11(15)13-10(7)6-8;;/h3-4,6,9H,5H2,1-2H3,(H,13,15)(H,16,17);;/q;+1;-1
InChIKeyZHJCULSLVBECNX-UHFFFAOYSA-N
MW274.36 g/mol
LogP-1.94
Rot. Bonds2

About potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride

potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride (PubChem CID 173375657) has the molecular formula C12H15KN2O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride.

Molecular Properties

Compound Namepotassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride
PubChem CID173375657
Molecular FormulaC12H15KN2O3
Molecular Weight274.36 g/mol
Exact Mass274.07
IUPAC Namepotassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride
SMILESCN(C)c1ccc2c(c1)NC(=O)C(C(=O)O)C2.[H-].[K+]
InChIInChI=1S/C12H14N2O3.K.H/c1-14(2)8-4-3-7-5-9(12(16)17)11(15)13-10(7)6-8;;/h3-4,6,9H,5H2,1-2H3,(H,13,15)(H,16,17);;/q;+1;-1
InChIKeyZHJCULSLVBECNX-UHFFFAOYSA-N
XLogP-1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride?
The IUPAC name of potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride (CID 173375657) is potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride.
What is the SMILES notation for potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride?
The canonical SMILES for potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride is CN(C)c1ccc2c(c1)NC(=O)C(C(=O)O)C2.[H-].[K+].
What is the InChIKey of potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride?
The InChIKey is ZHJCULSLVBECNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.K.H/c1-14(2)8-4-3-7-5-9(12(16)17)11(15)13-10(7)6-8;;/h3-4,6,9H,5H2,1-2H3,(H,13,15)(H,16,17);;/q;+1;-1.
What are the key properties of potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride?
potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride has a molecular weight of 274.36 g/mol, XLogP of -1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride is sourced from PubChem (CID 173375657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).