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

C15H18ClN3O2 — CID 2965223

IUPACmethyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N2CCNCC2)nc2ccccc12.Cl
InChIInChI=1S/C15H17N3O2.ClH/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;1H
InChIKeyDZWVTEROMDWISN-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.85
Rot. Bonds2

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

methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride (PubChem CID 2965223) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride
PubChem CID2965223
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Namemethyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N2CCNCC2)nc2ccccc12.Cl
InChIInChI=1S/C15H17N3O2.ClH/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;1H
InChIKeyDZWVTEROMDWISN-UHFFFAOYSA-N
XLogP1.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride (CID 2965223) is methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride is COC(=O)c1cc(N2CCNCC2)nc2ccccc12.Cl.
What is the InChIKey of methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride?
The InChIKey is DZWVTEROMDWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/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;1H.
What are the key properties of methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride?
methyl 2-piperazin-1-ylquinoline-4-carboxylate;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 1.85, 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;hydrochloride is sourced from PubChem (CID 2965223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).