N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide

C20H22N6 — CID 141390752

IUPACN'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide
SMILESCc1cccc(/N=C(\N)N2CCN(c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C20H22N6/c1-15-5-4-6-16(13-15)23-20(21)26-11-9-25(10-12-26)19-14-22-17-7-2-3-8-18(17)24-19/h2-8,13-14H,9-12H2,1H3,(H2,21,23)
InChIKeyCGZVEYUJSZPDNN-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.71
Rot. Bonds2

About N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide

N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide (PubChem CID 141390752) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide
PubChem CID141390752
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide
SMILESCc1cccc(/N=C(\N)N2CCN(c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C20H22N6/c1-15-5-4-6-16(13-15)23-20(21)26-11-9-25(10-12-26)19-14-22-17-7-2-3-8-18(17)24-19/h2-8,13-14H,9-12H2,1H3,(H2,21,23)
InChIKeyCGZVEYUJSZPDNN-UHFFFAOYSA-N
XLogP2.71
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 108741356
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741431
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
N'-(5-fluoro-2-methylphenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide
CID 141390773
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide (CID 141390752) is N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide is Cc1cccc(/N=C(\N)N2CCN(c3cnc4ccccc4n3)CC2)c1.
What is the InChIKey of N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
The InChIKey is CGZVEYUJSZPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-15-5-4-6-16(13-15)23-20(21)26-11-9-25(10-12-26)19-14-22-17-7-2-3-8-18(17)24-19/h2-8,13-14H,9-12H2,1H3,(H2,21,23).
What are the key properties of N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide has a molecular weight of 346.44 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 141390752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).