N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine

C17H15N3O3 — CID 60504727

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine
SMILESc1ccc2nc(NCCOc3ccc4c(c3)OCO4)cnc2c1
InChIInChI=1S/C17H15N3O3/c1-2-4-14-13(3-1)19-10-17(20-14)18-7-8-21-12-5-6-15-16(9-12)23-11-22-15/h1-6,9-10H,7-8,11H2,(H,18,20)
InChIKeyFBJMJAJURDOOAR-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine (PubChem CID 60504727) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine
PubChem CID60504727
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine
SMILESc1ccc2nc(NCCOc3ccc4c(c3)OCO4)cnc2c1
InChIInChI=1S/C17H15N3O3/c1-2-4-14-13(3-1)19-10-17(20-14)18-7-8-21-12-5-6-15-16(9-12)23-11-22-15/h1-6,9-10H,7-8,11H2,(H,18,20)
InChIKeyFBJMJAJURDOOAR-UHFFFAOYSA-N
XLogP2.85
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
CID 24845741
N-[2-(4-methylsulfonylphenoxy)ethyl]quinoxalin-2-amine
CID 56781418
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112951454
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-nitroaniline
CID 60504910
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442342
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112860359
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
CID 23610176
5-(2-phenylsulfanylethoxy)-1,3-benzodioxole
CID 79404002
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112175

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine (CID 60504727) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine is c1ccc2nc(NCCOc3ccc4c(c3)OCO4)cnc2c1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine?
The InChIKey is FBJMJAJURDOOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-4-14-13(3-1)19-10-17(20-14)18-7-8-21-12-5-6-15-16(9-12)23-11-22-15/h1-6,9-10H,7-8,11H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine has a molecular weight of 309.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 60504727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).