2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid

C15H17N3O2 — CID 715494

IUPAC2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)11-17-7-9-18(10-8-17)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,19,20)
InChIKeyHCRXUFYSLPXCDW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.44
Rot. Bonds3

About 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid

2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid (PubChem CID 715494) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid
PubChem CID715494
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)11-17-7-9-18(10-8-17)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,19,20)
InChIKeyHCRXUFYSLPXCDW-UHFFFAOYSA-N
XLogP1.44
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid (CID 715494) is 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid is O=C(O)CN1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is HCRXUFYSLPXCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)11-17-7-9-18(10-8-17)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,19,20).
What are the key properties of 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid?
2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 715494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).