N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide

C16H21IN4O — CID 158106861

IUPACN-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
SMILESCCCN(CC)CCNC(=O)c1cnc2cc([125I])ccc2n1
InChIInChI=1S/C16H21IN4O/c1-3-8-21(4-2)9-7-18-16(22)15-11-19-14-10-12(17)5-6-13(14)20-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,22)/i17-2
InChIKeyUVAGAGYWWUQMKZ-QZIRHQCUSA-N
MW410.28 g/mol
LogP2.70
Rot. Bonds7

About N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide

N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide (PubChem CID 158106861) has the molecular formula C16H21IN4O and a molecular weight of 410.28 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
PubChem CID158106861
Molecular FormulaC16H21IN4O
Molecular Weight410.28 g/mol
Exact Mass410.08
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
SMILESCCCN(CC)CCNC(=O)c1cnc2cc([125I])ccc2n1
InChIInChI=1S/C16H21IN4O/c1-3-8-21(4-2)9-7-18-16(22)15-11-19-14-10-12(17)5-6-13(14)20-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,22)/i17-2
InChIKeyUVAGAGYWWUQMKZ-QZIRHQCUSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 52.70
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(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
CID 73350413
N-[2-[ethyl-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52950976
N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 158767738
N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 90664604
N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197
N-[2-[ethyl-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712880
N-[[4-(diethylaminomethyl)-2-fluoro-3-pyridinyl]methyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 52951107
N-[[4-(diethylaminomethyl)-2-fluoro-3-pyridinyl]methyl]-6-(125I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52951106
N-[2-[ethyl-[(E)-4-(18F)fluorobut-2-enyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712878
N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
CID 59228758
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52952259
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide (CID 158106861) is N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide is CCCN(CC)CCNC(=O)c1cnc2cc([125I])ccc2n1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide?
The InChIKey is UVAGAGYWWUQMKZ-QZIRHQCUSA-N. The full InChI is InChI=1S/C16H21IN4O/c1-3-8-21(4-2)9-7-18-16(22)15-11-19-14-10-12(17)5-6-13(14)20-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,22)/i17-2.
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide?
N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide has a molecular weight of 410.28 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide is sourced from PubChem (CID 158106861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).