N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine

C18H27N5O — CID 24853528

IUPACN,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine
SMILESCN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C18H27N5O/c1-21(2)9-6-14-24-18-17(23-12-10-22(3)11-13-23)19-15-7-4-5-8-16(15)20-18/h4-5,7-8H,6,9-14H2,1-3H3
InChIKeyRCIGUGUHPFMBPS-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.71
Rot. Bonds6

About N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine

N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine (PubChem CID 24853528) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine
PubChem CID24853528
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine
SMILESCN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C18H27N5O/c1-21(2)9-6-14-24-18-17(23-12-10-22(3)11-13-23)19-15-7-4-5-8-16(15)20-18/h4-5,7-8H,6,9-14H2,1-3H3
InChIKeyRCIGUGUHPFMBPS-UHFFFAOYSA-N
XLogP1.71
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine (CID 24853528) is N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine is CN(C)CCCOc1nc2ccccc2nc1N1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine?
The InChIKey is RCIGUGUHPFMBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21(2)9-6-14-24-18-17(23-12-10-22(3)11-13-23)19-15-7-4-5-8-16(15)20-18/h4-5,7-8H,6,9-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine?
N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine has a molecular weight of 329.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]oxypropan-1-amine is sourced from PubChem (CID 24853528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).