1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone

C22H24N4O2 — CID 166362275

IUPAC1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone
SMILESCN1CCN(C(=O)CNc2ccnc3ccc(Oc4ccccc4)cc23)CC1
InChIInChI=1S/C22H24N4O2/c1-25-11-13-26(14-12-25)22(27)16-24-21-9-10-23-20-8-7-18(15-19(20)21)28-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,23,24)
InChIKeyIDLRFLFWMUIBLQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone

1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone (PubChem CID 166362275) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone
PubChem CID166362275
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone
SMILESCN1CCN(C(=O)CNc2ccnc3ccc(Oc4ccccc4)cc23)CC1
InChIInChI=1S/C22H24N4O2/c1-25-11-13-26(14-12-25)22(27)16-24-21-9-10-23-20-8-7-18(15-19(20)21)28-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,23,24)
InChIKeyIDLRFLFWMUIBLQ-UHFFFAOYSA-N
XLogP3.21
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone (CID 166362275) is 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone is CN1CCN(C(=O)CNc2ccnc3ccc(Oc4ccccc4)cc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone?
The InChIKey is IDLRFLFWMUIBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-11-13-26(14-12-25)22(27)16-24-21-9-10-23-20-8-7-18(15-19(20)21)28-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,23,24).
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone has a molecular weight of 376.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone is sourced from PubChem (CID 166362275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).