methyl 2-piperazin-1-ylquinoline-4-carboxylate

C15H17N3O2 — CID 544649

IUPACmethyl 2-piperazin-1-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c1-20-15(19)12-10-14(18-8-6-16-7-9-18)17-13-5-3-2-4-11(12)13/h2-5,10,16H,6-9H2,1H3
InChIKeyRYPDJGVKFIXLDP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.43
Rot. Bonds2

About methyl 2-piperazin-1-ylquinoline-4-carboxylate

methyl 2-piperazin-1-ylquinoline-4-carboxylate (PubChem CID 544649) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylquinoline-4-carboxylate
PubChem CID544649
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-piperazin-1-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c1-20-15(19)12-10-14(18-8-6-16-7-9-18)17-13-5-3-2-4-11(12)13/h2-5,10,16H,6-9H2,1H3
InChIKeyRYPDJGVKFIXLDP-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-piperazin-1-ylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylquinoline-4-carboxylate?
The IUPAC name of methyl 2-piperazin-1-ylquinoline-4-carboxylate (CID 544649) is methyl 2-piperazin-1-ylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-piperazin-1-ylquinoline-4-carboxylate?
The canonical SMILES for methyl 2-piperazin-1-ylquinoline-4-carboxylate is COC(=O)c1cc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of methyl 2-piperazin-1-ylquinoline-4-carboxylate?
The InChIKey is RYPDJGVKFIXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-15(19)12-10-14(18-8-6-16-7-9-18)17-13-5-3-2-4-11(12)13/h2-5,10,16H,6-9H2,1H3.
What are the key properties of methyl 2-piperazin-1-ylquinoline-4-carboxylate?
methyl 2-piperazin-1-ylquinoline-4-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-ylquinoline-4-carboxylate is sourced from PubChem (CID 544649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).