N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride

C17H25Cl2IN4O — CID 158767738

IUPACN-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
SMILESCCCN(CCC)CCNC(=O)c1cnc2cc(I)ccc2n1.Cl.Cl
InChIInChI=1S/C17H23IN4O.2ClH/c1-3-8-22(9-4-2)10-7-19-17(23)16-12-20-15-11-13(18)5-6-14(15)21-16;;/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,23);2*1H
InChIKeyQHKHTANGDLZNRZ-UHFFFAOYSA-N
MW499.22 g/mol
LogP3.93
Rot. Bonds8

About N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride

N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride (PubChem CID 158767738) has the molecular formula C17H25Cl2IN4O and a molecular weight of 499.22 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
PubChem CID158767738
Molecular FormulaC17H25Cl2IN4O
Molecular Weight499.22 g/mol
Exact Mass498.05
IUPAC NameN-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
SMILESCCCN(CCC)CCNC(=O)c1cnc2cc(I)ccc2n1.Cl.Cl
InChIInChI=1S/C17H23IN4O.2ClH/c1-3-8-22(9-4-2)10-7-19-17(23)16-12-20-15-11-13(18)5-6-14(15)21-16;;/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,23);2*1H
InChIKeyQHKHTANGDLZNRZ-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.22
LogP ≤ 53.93
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-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride
CID 157235603
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679
N-[2-[ethyl-[(E)-4-(18F)fluorobut-2-enyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712878
N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 158106861
N-[2-[ethyl-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712880
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52952259
N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 90664604
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
4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
CID 66942500
[(2R,3S,5S)-2-(hydroxymethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxyoxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate
CID 102527654
6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 122448998

Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride (CID 158767738) is N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride is CCCN(CCC)CCNC(=O)c1cnc2cc(I)ccc2n1.Cl.Cl.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride?
The InChIKey is QHKHTANGDLZNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IN4O.2ClH/c1-3-8-22(9-4-2)10-7-19-17(23)16-12-20-15-11-13(18)5-6-14(15)21-16;;/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,23);2*1H.
What are the key properties of N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride?
N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride has a molecular weight of 499.22 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 158767738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).