N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine

C16H23N5 — CID 56782052

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
SMILESCC(CN1CCN(C)CC1)Nc1cnc2ccccc2n1
InChIInChI=1S/C16H23N5/c1-13(12-21-9-7-20(2)8-10-21)18-16-11-17-14-5-3-4-6-15(14)19-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,19)
InChIKeyCUVXMGIJABSRFI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine (PubChem CID 56782052) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
PubChem CID56782052
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
SMILESCC(CN1CCN(C)CC1)Nc1cnc2ccccc2n1
InChIInChI=1S/C16H23N5/c1-13(12-21-9-7-20(2)8-10-21)18-16-11-17-14-5-3-4-6-15(14)19-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,19)
InChIKeyCUVXMGIJABSRFI-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine (CID 56782052) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine is CC(CN1CCN(C)CC1)Nc1cnc2ccccc2n1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine?
The InChIKey is CUVXMGIJABSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(12-21-9-7-20(2)8-10-21)18-16-11-17-14-5-3-4-6-15(14)19-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine is sourced from PubChem (CID 56782052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).