4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid

C14H14ClN3O2 — CID 56876958

IUPAC4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ccc3cccc(Cl)c3n2)CCN1
InChIInChI=1S/C14H14ClN3O2/c15-10-3-1-2-9-4-5-12(17-13(9)10)18-7-6-16-11(8-18)14(19)20/h1-5,11,16H,6-8H2,(H,19,20)
InChIKeyLXNAYRLMTDCUOX-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.75
Rot. Bonds2

About 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid

4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid (PubChem CID 56876958) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid
PubChem CID56876958
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ccc3cccc(Cl)c3n2)CCN1
InChIInChI=1S/C14H14ClN3O2/c15-10-3-1-2-9-4-5-12(17-13(9)10)18-7-6-16-11(8-18)14(19)20/h1-5,11,16H,6-8H2,(H,19,20)
InChIKeyLXNAYRLMTDCUOX-UHFFFAOYSA-N
XLogP1.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid (CID 56876958) is 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid is O=C(O)C1CN(c2ccc3cccc(Cl)c3n2)CCN1.
What is the InChIKey of 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is LXNAYRLMTDCUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-3-1-2-9-4-5-12(17-13(9)10)18-7-6-16-11(8-18)14(19)20/h1-5,11,16H,6-8H2,(H,19,20).
What are the key properties of 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid?
4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloroquinolin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 56876958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).