6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride

C15H21ClN4O2 — CID 90673657

IUPAC6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
SMILESCOc1cc2nc(N3CCNCC3)cc(N)c2cc1OC.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-20-13-7-10-11(16)8-15(19-5-3-17-4-6-19)18-12(10)9-14(13)21-2;/h7-9,17H,3-6H2,1-2H3,(H2,16,18);1H
InChIKeyMNMUQTBAXDZEAG-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.67
Rot. Bonds3

About 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride

6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride (PubChem CID 90673657) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
PubChem CID90673657
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
SMILESCOc1cc2nc(N3CCNCC3)cc(N)c2cc1OC.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-20-13-7-10-11(16)8-15(19-5-3-17-4-6-19)18-12(10)9-14(13)21-2;/h7-9,17H,3-6H2,1-2H3,(H2,16,18);1H
InChIKeyMNMUQTBAXDZEAG-UHFFFAOYSA-N
XLogP1.67
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride (CID 90673657) is 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride is COc1cc2nc(N3CCNCC3)cc(N)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride?
The InChIKey is MNMUQTBAXDZEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-20-13-7-10-11(16)8-15(19-5-3-17-4-6-19)18-12(10)9-14(13)21-2;/h7-9,17H,3-6H2,1-2H3,(H2,16,18);1H.
What are the key properties of 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride?
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 90673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).