4-quinolin-3-ylpiperazine-1-carboxylic acid

C14H15N3O2 — CID 69402111

IUPAC4-quinolin-3-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C14H15N3O2/c18-14(19)17-7-5-16(6-8-17)12-9-11-3-1-2-4-13(11)15-10-12/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyGGEBSPXQAFBAEV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds1

About 4-quinolin-3-ylpiperazine-1-carboxylic acid

4-quinolin-3-ylpiperazine-1-carboxylic acid (PubChem CID 69402111) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-quinolin-3-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-quinolin-3-ylpiperazine-1-carboxylic acid
PubChem CID69402111
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-quinolin-3-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C14H15N3O2/c18-14(19)17-7-5-16(6-8-17)12-9-11-3-1-2-4-13(11)15-10-12/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyGGEBSPXQAFBAEV-UHFFFAOYSA-N
XLogP2.03
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-ylpiperazine-1-carboxylic acid?
The IUPAC name of 4-quinolin-3-ylpiperazine-1-carboxylic acid (CID 69402111) is 4-quinolin-3-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-quinolin-3-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-quinolin-3-ylpiperazine-1-carboxylic acid is O=C(O)N1CCN(c2cnc3ccccc3c2)CC1.
What is the InChIKey of 4-quinolin-3-ylpiperazine-1-carboxylic acid?
The InChIKey is GGEBSPXQAFBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)17-7-5-16(6-8-17)12-9-11-3-1-2-4-13(11)15-10-12/h1-4,9-10H,5-8H2,(H,18,19).
What are the key properties of 4-quinolin-3-ylpiperazine-1-carboxylic acid?
4-quinolin-3-ylpiperazine-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 69402111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).