2-piperazin-1-ylquinoline-3-carboxylic acid

C14H15N3O2 — CID 19763543

IUPAC2-piperazin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1N1CCNCC1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2,(H,18,19)
InChIKeyXISDPHXOJCIPHX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.34
Rot. Bonds2

About 2-piperazin-1-ylquinoline-3-carboxylic acid

2-piperazin-1-ylquinoline-3-carboxylic acid (PubChem CID 19763543) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-piperazin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-piperazin-1-ylquinoline-3-carboxylic acid
PubChem CID19763543
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-piperazin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1N1CCNCC1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2,(H,18,19)
InChIKeyXISDPHXOJCIPHX-UHFFFAOYSA-N
XLogP1.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 2-piperazin-1-ylquinoline-3-carboxylic acid (CID 19763543) is 2-piperazin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-piperazin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 2-piperazin-1-ylquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2nc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylquinoline-3-carboxylic acid?
The InChIKey is XISDPHXOJCIPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2,(H,18,19).
What are the key properties of 2-piperazin-1-ylquinoline-3-carboxylic acid?
2-piperazin-1-ylquinoline-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 19763543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).