N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride

C15H21Cl2IN4O — CID 90664604

IUPACN-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1cnc2cc([131I])ccc2n1.Cl.Cl
InChIInChI=1S/C15H19IN4O.2ClH/c1-3-20(4-2)8-7-17-15(21)14-10-18-13-9-11(16)5-6-12(13)19-14;;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21);2*1H/i16+4;;
InChIKeyXEODMHQABAPGED-ASHBWYNSSA-N
MW475.17 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride

N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride (PubChem CID 90664604) has the molecular formula C15H21Cl2IN4O and a molecular weight of 475.17 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
PubChem CID90664604
Molecular FormulaC15H21Cl2IN4O
Molecular Weight475.17 g/mol
Exact Mass474.02
IUPAC NameN-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1cnc2cc([131I])ccc2n1.Cl.Cl
InChIInChI=1S/C15H19IN4O.2ClH/c1-3-20(4-2)8-7-17-15(21)14-10-18-13-9-11(16)5-6-12(13)19-14;;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21);2*1H/i16+4;;
InChIKeyXEODMHQABAPGED-ASHBWYNSSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 158106861
N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
CID 73350413
N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 158767738
N-[2-[ethyl-[(E)-4-(18F)fluorobut-2-enyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712878
6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 122448998
N-[2-[ethyl-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52950976
N-[2-[ethyl-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712880
N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52952259
N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane
CID 143617083
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
CID 66942500

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride (CID 90664604) is N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride is CCN(CC)CCNC(=O)c1cnc2cc([131I])ccc2n1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride?
The InChIKey is XEODMHQABAPGED-ASHBWYNSSA-N. The full InChI is InChI=1S/C15H19IN4O.2ClH/c1-3-20(4-2)8-7-17-15(21)14-10-18-13-9-11(16)5-6-12(13)19-14;;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21);2*1H/i16+4;;.
What are the key properties of N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride?
N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride has a molecular weight of 475.17 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 90664604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).