2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline

C19H19ClN4O — CID 24853596

IUPAC2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN4O/c1-23-10-12-24(13-11-23)18-19(25-15-8-6-14(20)7-9-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-13H2,1H3
InChIKeyPYPZVKWBGYMJNM-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline

2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24853596) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24853596
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN4O/c1-23-10-12-24(13-11-23)18-19(25-15-8-6-14(20)7-9-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-13H2,1H3
InChIKeyPYPZVKWBGYMJNM-UHFFFAOYSA-N
XLogP3.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706474
2-Methyl-3-((6-(piperidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706533
2-chloro-12-(phenylsulfonyl)-12H-quinoxalino[2,3-b][1,4]benzoxazine
CID 1040554
12-[(4-chlorophenyl)sulfonyl]-12H-quinoxalino[2,3-b][1,4]benzoxazine
CID 1211574
2-Chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
CID 1211576
4-[3-(2-Phenoxyethoxy)-2-quinoxalinyl]morpholine
CID 2562124
2-[(3-Chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853595
2-(3-Methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853597
2-(4-Methylpiperazin-1-yl)-3-phenoxyquinoxaline
CID 24854637
2-[(4-Methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24854703
6-Chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
CID 44563707
2-(4-Chlorophenoxy)-3-(trichloromethyl)quinoxaline
CID 134149467

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24853596) is 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is PYPZVKWBGYMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-23-10-12-24(13-11-23)18-19(25-15-8-6-14(20)7-9-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 354.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24853596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).