6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline

C20H21ClN4O — CID 44563707

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
SMILESCN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1
InChIInChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19-20(26-14-15-5-3-2-4-6-15)23-18-13-16(21)7-8-17(18)22-19/h2-8,13H,9-12,14H2,1H3
InChIKeyCNRAIALELQBKRS-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.61
Rot. Bonds4

About 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline

6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline (PubChem CID 44563707) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
PubChem CID44563707
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
SMILESCN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1
InChIInChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19-20(26-14-15-5-3-2-4-6-15)23-18-13-16(21)7-8-17(18)22-19/h2-8,13H,9-12,14H2,1H3
InChIKeyCNRAIALELQBKRS-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-3-((6-(piperidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706533
4-[3-[(4-Nitrophenyl)methoxy]quinoxalin-2-yl]morpholine
CID 2469334
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-phenylmethoxyquinoxaline
CID 24854638
2-(4-Methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline
CID 24854639
2-[(4-Methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24854703
2-[(3-Morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
CID 2490169
4-[(3-Morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
CID 5115193
2-(4-Methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline
CID 24853592
2-[(4-Methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853594
2-(4-Chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853596

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline (CID 44563707) is 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline is CN1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline?
The InChIKey is CNRAIALELQBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19-20(26-14-15-5-3-2-4-6-15)23-18-13-16(21)7-8-17(18)22-19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline?
6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline has a molecular weight of 368.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline is sourced from PubChem (CID 44563707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).