4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid

C14H15ClN4O2 — CID 69322377

IUPAC4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid
SMILESNc1c(Cl)ccc2nc(N3CCN(C(=O)O)CC3)ccc12
InChIInChI=1S/C14H15ClN4O2/c15-10-2-3-11-9(13(10)16)1-4-12(17-11)18-5-7-19(8-6-18)14(20)21/h1-4H,5-8,16H2,(H,20,21)
InChIKeyDLKRZIGXNYPWRF-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.27
Rot. Bonds1

About 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid

4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid (PubChem CID 69322377) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid
PubChem CID69322377
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid
SMILESNc1c(Cl)ccc2nc(N3CCN(C(=O)O)CC3)ccc12
InChIInChI=1S/C14H15ClN4O2/c15-10-2-3-11-9(13(10)16)1-4-12(17-11)18-5-7-19(8-6-18)14(20)21/h1-4H,5-8,16H2,(H,20,21)
InChIKeyDLKRZIGXNYPWRF-UHFFFAOYSA-N
XLogP2.27
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
CID 118556113
4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
CID 174713975
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
4-(5-aminopyrazin-2-yl)piperazine-1-carboxylic acid
CID 141367991
4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid
CID 123681527
4-(4-amino-2-chlorophenyl)piperazine-1-carboxylic acid
CID 67441822
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
4-(2,3-diaminophenyl)piperazine-1-carboxylic acid
CID 141138614
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
6-chloro-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-5-carboxylic acid;2,6-dichloroquinoline-5-carboxylic acid
CID 160563241

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid (CID 69322377) is 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid is Nc1c(Cl)ccc2nc(N3CCN(C(=O)O)CC3)ccc12.
What is the InChIKey of 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is DLKRZIGXNYPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-2-3-11-9(13(10)16)1-4-12(17-11)18-5-7-19(8-6-18)14(20)21/h1-4H,5-8,16H2,(H,20,21).
What are the key properties of 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid?
4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69322377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).