N-(2-iodoethyl)quinoxalin-2-amine

C10H10IN3 — CID 163768527

IUPACN-(2-iodoethyl)quinoxalin-2-amine
SMILESICCNc1cnc2ccccc2n1
InChIInChI=1S/C10H10IN3/c11-5-6-12-10-7-13-8-3-1-2-4-9(8)14-10/h1-4,7H,5-6H2,(H,12,14)
InChIKeyMELDOMNZRJHWHO-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.48
Rot. Bonds3

About N-(2-iodoethyl)quinoxalin-2-amine

N-(2-iodoethyl)quinoxalin-2-amine (PubChem CID 163768527) has the molecular formula C10H10IN3 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-(2-iodoethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-iodoethyl)quinoxalin-2-amine
PubChem CID163768527
Molecular FormulaC10H10IN3
Molecular Weight299.12 g/mol
Exact Mass298.99
IUPAC NameN-(2-iodoethyl)quinoxalin-2-amine
SMILESICCNc1cnc2ccccc2n1
InChIInChI=1S/C10H10IN3/c11-5-6-12-10-7-13-8-3-1-2-4-9(8)14-10/h1-4,7H,5-6H2,(H,12,14)
InChIKeyMELDOMNZRJHWHO-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
N-hex-5-ynylquinoxalin-2-amine
CID 113255983
N'-(2-methoxyethyl)-N'-methyl-N-quinoxalin-2-ylethane-1,2-diamine
CID 55126580
N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
CID 49432129
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
CID 115609169
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
quinoxalin-2-ylhydrazine;hydrochloride
CID 18995251
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine
CID 60504727
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)quinoxalin-2-amine?
The IUPAC name of N-(2-iodoethyl)quinoxalin-2-amine (CID 163768527) is N-(2-iodoethyl)quinoxalin-2-amine.
What is the SMILES notation for N-(2-iodoethyl)quinoxalin-2-amine?
The canonical SMILES for N-(2-iodoethyl)quinoxalin-2-amine is ICCNc1cnc2ccccc2n1.
What is the InChIKey of N-(2-iodoethyl)quinoxalin-2-amine?
The InChIKey is MELDOMNZRJHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3/c11-5-6-12-10-7-13-8-3-1-2-4-9(8)14-10/h1-4,7H,5-6H2,(H,12,14).
What are the key properties of N-(2-iodoethyl)quinoxalin-2-amine?
N-(2-iodoethyl)quinoxalin-2-amine has a molecular weight of 299.12 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)quinoxalin-2-amine is sourced from PubChem (CID 163768527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).