4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid

C14H15N3O3 — CID 174713975

IUPAC4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc3cc(O)ccc3n2)CC1
InChIInChI=1S/C14H15N3O3/c18-11-2-3-12-10(9-11)1-4-13(15-12)16-5-7-17(8-6-16)14(19)20/h1-4,9,18H,5-8H2,(H,19,20)
InChIKeyJOABFRNCISOZPC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.74
Rot. Bonds1

About 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid

4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid (PubChem CID 174713975) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
PubChem CID174713975
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc3cc(O)ccc3n2)CC1
InChIInChI=1S/C14H15N3O3/c18-11-2-3-12-10(9-11)1-4-13(15-12)16-5-7-17(8-6-16)14(19)20/h1-4,9,18H,5-8H2,(H,19,20)
InChIKeyJOABFRNCISOZPC-UHFFFAOYSA-N
XLogP1.74
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid (CID 174713975) is 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc3cc(O)ccc3n2)CC1.
What is the InChIKey of 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is JOABFRNCISOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-11-2-3-12-10(9-11)1-4-13(15-12)16-5-7-17(8-6-16)14(19)20/h1-4,9,18H,5-8H2,(H,19,20).
What are the key properties of 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid?
4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174713975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).