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

C16H23N5 — CID 60734250

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCN1CCN(C)CC1
InChIInChI=1S/C16H23N5/c1-13-16(19-15-6-4-3-5-14(15)18-13)17-7-8-21-11-9-20(2)10-12-21/h3-6H,7-12H2,1-2H3,(H,17,19)
InChIKeyONVMOFSGWFKBSF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.60
Rot. Bonds4

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

3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine (PubChem CID 60734250) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
PubChem CID60734250
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCN1CCN(C)CC1
InChIInChI=1S/C16H23N5/c1-13-16(19-15-6-4-3-5-14(15)18-13)17-7-8-21-11-9-20(2)10-12-21/h3-6H,7-12H2,1-2H3,(H,17,19)
InChIKeyONVMOFSGWFKBSF-UHFFFAOYSA-N
XLogP1.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.60
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)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine (CID 60734250) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NCCN1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine?
The InChIKey is ONVMOFSGWFKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-16(19-15-6-4-3-5-14(15)18-13)17-7-8-21-11-9-20(2)10-12-21/h3-6H,7-12H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine?
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 1.60, 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)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 60734250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).