4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid

C14H12N4O3 — CID 106400814

IUPAC4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCCc1ncno1
InChIInChI=1S/C14H12N4O3/c19-14(20)10-7-16-11-4-2-1-3-9(11)13(10)15-6-5-12-17-8-18-21-12/h1-4,7-8H,5-6H2,(H,15,16)(H,19,20)
InChIKeyLLKAECIRHVUHEX-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.97
Rot. Bonds5

About 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid

4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid (PubChem CID 106400814) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
PubChem CID106400814
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCCc1ncno1
InChIInChI=1S/C14H12N4O3/c19-14(20)10-7-16-11-4-2-1-3-9(11)13(10)15-6-5-12-17-8-18-21-12/h1-4,7-8H,5-6H2,(H,15,16)(H,19,20)
InChIKeyLLKAECIRHVUHEX-UHFFFAOYSA-N
XLogP1.97
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744302
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
2-fluoro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoic acid
CID 114185307
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
CID 103744283

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid (CID 106400814) is 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NCCc1ncno1.
What is the InChIKey of 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid?
The InChIKey is LLKAECIRHVUHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-14(20)10-7-16-11-4-2-1-3-9(11)13(10)15-6-5-12-17-8-18-21-12/h1-4,7-8H,5-6H2,(H,15,16)(H,19,20).
What are the key properties of 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid?
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid is sourced from PubChem (CID 106400814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).