N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride

C15H19ClFIN4O — CID 73350413

IUPACN-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
SMILESCCN(CCF)CCNC(=O)c1cnc2cc([125I])ccc2n1.Cl
InChIInChI=1S/C15H18FIN4O.ClH/c1-2-21(7-5-16)8-6-18-15(22)14-10-19-13-9-11(17)3-4-12(13)20-14;/h3-4,9-10H,2,5-8H2,1H3,(H,18,22);1H/i17-2;
InChIKeyWRDLTTZODZVFBZ-SEILCRPISA-N
MW450.70 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride

N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride (PubChem CID 73350413) has the molecular formula C15H19ClFIN4O and a molecular weight of 450.70 g/mol. Its IUPAC name is N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
PubChem CID73350413
Molecular FormulaC15H19ClFIN4O
Molecular Weight450.70 g/mol
Exact Mass450.03
IUPAC NameN-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
SMILESCCN(CCF)CCNC(=O)c1cnc2cc([125I])ccc2n1.Cl
InChIInChI=1S/C15H18FIN4O.ClH/c1-2-21(7-5-16)8-6-18-15(22)14-10-19-13-9-11(17)3-4-12(13)20-14;/h3-4,9-10H,2,5-8H2,1H3,(H,18,22);1H/i17-2;
InChIKeyWRDLTTZODZVFBZ-SEILCRPISA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride (CID 73350413) is N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride is CCN(CCF)CCNC(=O)c1cnc2cc([125I])ccc2n1.Cl.
What is the InChIKey of N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride?
The InChIKey is WRDLTTZODZVFBZ-SEILCRPISA-N. The full InChI is InChI=1S/C15H18FIN4O.ClH/c1-2-21(7-5-16)8-6-18-15(22)14-10-19-13-9-11(17)3-4-12(13)20-14;/h3-4,9-10H,2,5-8H2,1H3,(H,18,22);1H/i17-2;.
What are the key properties of N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride?
N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride has a molecular weight of 450.70 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride is sourced from PubChem (CID 73350413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).