3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine

C17H25N5 — CID 133301516

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C)N1CCN(C)CC1
InChIInChI=1S/C17H25N5/c1-13(22-10-8-21(3)9-11-22)12-18-17-14(2)19-15-6-4-5-7-16(15)20-17/h4-7,13H,8-12H2,1-3H3,(H,18,20)
InChIKeyYDSWSMVBBZNSQM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.99
Rot. Bonds4

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine

3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine (PubChem CID 133301516) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine
PubChem CID133301516
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C)N1CCN(C)CC1
InChIInChI=1S/C17H25N5/c1-13(22-10-8-21(3)9-11-22)12-18-17-14(2)19-15-6-4-5-7-16(15)20-17/h4-7,13H,8-12H2,1-3H3,(H,18,20)
InChIKeyYDSWSMVBBZNSQM-UHFFFAOYSA-N
XLogP1.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine (CID 133301516) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(C)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine?
The InChIKey is YDSWSMVBBZNSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13(22-10-8-21(3)9-11-22)12-18-17-14(2)19-15-6-4-5-7-16(15)20-17/h4-7,13H,8-12H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine?
3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine is sourced from PubChem (CID 133301516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).