N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide

C21H24N6 — CID 141390769

IUPACN'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide
SMILESCc1ccccc1/N=C(\N)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C21H24N6/c1-15-7-3-4-8-17(15)25-21(22)27-13-11-26(12-14-27)20-16(2)23-18-9-5-6-10-19(18)24-20/h3-10H,11-14H2,1-2H3,(H2,22,25)
InChIKeyQOXPTDVXAPSGRO-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.02
Rot. Bonds2

About N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide

N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide (PubChem CID 141390769) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide
PubChem CID141390769
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide
SMILESCc1ccccc1/N=C(\N)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C21H24N6/c1-15-7-3-4-8-17(15)25-21(22)27-13-11-26(12-14-27)20-16(2)23-18-9-5-6-10-19(18)24-20/h3-10H,11-14H2,1-2H3,(H2,22,25)
InChIKeyQOXPTDVXAPSGRO-UHFFFAOYSA-N
XLogP3.02
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide (CID 141390769) is N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide is Cc1ccccc1/N=C(\N)N1CCN(c2nc3ccccc3nc2C)CC1.
What is the InChIKey of N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide?
The InChIKey is QOXPTDVXAPSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-15-7-3-4-8-17(15)25-21(22)27-13-11-26(12-14-27)20-16(2)23-18-9-5-6-10-19(18)24-20/h3-10H,11-14H2,1-2H3,(H2,22,25).
What are the key properties of N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide?
N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide has a molecular weight of 360.47 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-4-(3-methylquinoxalin-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 141390769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).