2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid

C15H17N3O3 — CID 43375386

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
SMILESCN(C)C(=O)CN(C)c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-17(2)14(19)9-18(3)13-8-11(15(20)21)10-6-4-5-7-12(10)16-13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyOEXAVZPQGGYHEY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.46
Rot. Bonds4

About 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid (PubChem CID 43375386) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
PubChem CID43375386
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
SMILESCN(C)C(=O)CN(C)c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-17(2)14(19)9-18(3)13-8-11(15(20)21)10-6-4-5-7-12(10)16-13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyOEXAVZPQGGYHEY-UHFFFAOYSA-N
XLogP1.46
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid (CID 43375386) is 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid is CN(C)C(=O)CN(C)c1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid?
The InChIKey is OEXAVZPQGGYHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(2)14(19)9-18(3)13-8-11(15(20)21)10-6-4-5-7-12(10)16-13/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid is sourced from PubChem (CID 43375386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).