4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid

C14H15N3O3 — CID 87805682

IUPAC4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2cc(N3CCNCC3)ccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-13-12(14(19)20)2-1-11-9-10(3-6-17(11)13)16-7-4-15-5-8-16/h1-3,6,9,15H,4-5,7-8H2,(H,19,20)
InChIKeyPWPLWVYFVKIIGP-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.41
Rot. Bonds2

About 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid

4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid (PubChem CID 87805682) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid
PubChem CID87805682
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2cc(N3CCNCC3)ccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-13-12(14(19)20)2-1-11-9-10(3-6-17(11)13)16-7-4-15-5-8-16/h1-3,6,9,15H,4-5,7-8H2,(H,19,20)
InChIKeyPWPLWVYFVKIIGP-UHFFFAOYSA-N
XLogP0.41
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid (CID 87805682) is 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid is O=C(O)c1ccc2cc(N3CCNCC3)ccn2c1=O.
What is the InChIKey of 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid?
The InChIKey is PWPLWVYFVKIIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-12(14(19)20)2-1-11-9-10(3-6-17(11)13)16-7-4-15-5-8-16/h1-3,6,9,15H,4-5,7-8H2,(H,19,20).
What are the key properties of 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid?
4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid is sourced from PubChem (CID 87805682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).