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

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

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Related Compounds

N-ethyl-6-phenoxyquinolin-4-amine
CID 63485387
6-phenoxy-N-propylquinolin-4-amine
CID 63485386
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]ethanone
CID 154002845
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
2-(2-iodoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28878586
2-[(6-bromoquinolin-4-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285219
4-[2-(4-phenoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108996019
3-[(6-chloroquinolin-4-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133359580
[6-[2-[(6-iodoquinolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711582
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825

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).