N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine

C24H28N6O2 — CID 135218536

IUPACN,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cn1
InChIInChI=1S/C24H28N6O2/c1-29(2)10-3-11-32-23-7-5-19(15-26-23)18-4-6-20-21(14-18)30-22(16-25-20)27-28-24(30)17-8-12-31-13-9-17/h4-7,14-17H,3,8-13H2,1-2H3
InChIKeyOLUUKHAHFFWDFW-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.56
Rot. Bonds7

About N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 135218536) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID135218536
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cn1
InChIInChI=1S/C24H28N6O2/c1-29(2)10-3-11-32-23-7-5-19(15-26-23)18-4-6-20-21(14-18)30-22(16-25-20)27-28-24(30)17-8-12-31-13-9-17/h4-7,14-17H,3,8-13H2,1-2H3
InChIKeyOLUUKHAHFFWDFW-UHFFFAOYSA-N
XLogP3.56
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine (CID 135218536) is N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is OLUUKHAHFFWDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-29(2)10-3-11-32-23-7-5-19(15-26-23)18-4-6-20-21(14-18)30-22(16-25-20)27-28-24(30)17-8-12-31-13-9-17/h4-7,14-17H,3,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 432.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 135218536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).