N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride

C16H22Cl2IN3O — CID 24879197

IUPACN-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2cc([125I])ccc2n1.Cl.Cl
InChIInChI=1S/C16H20IN3O.2ClH/c1-3-20(4-2)10-9-18-16(21)15-7-5-12-11-13(17)6-8-14(12)19-15;;/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21);2*1H/i17-2;;
InChIKeyBMWCTQNXYUYZMV-GDGRXHIBSA-N
MW468.18 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride

N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride (PubChem CID 24879197) has the molecular formula C16H22Cl2IN3O and a molecular weight of 468.18 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
PubChem CID24879197
Molecular FormulaC16H22Cl2IN3O
Molecular Weight468.18 g/mol
Exact Mass467.02
IUPAC NameN-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2cc([125I])ccc2n1.Cl.Cl
InChIInChI=1S/C16H20IN3O.2ClH/c1-3-20(4-2)10-9-18-16(21)15-7-5-12-11-13(17)6-8-14(12)19-15;;/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21);2*1H/i17-2;;
InChIKeyBMWCTQNXYUYZMV-GDGRXHIBSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-iodoquinoline-2-carboxamide;dihydrochloride
CID 157235603
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679
N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide
CID 24879251
N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 90664604
N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
CID 59228758
N-[2-[ethyl-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52950976
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
6-fluoro-N-pentylquinoline-2-carboxamide
CID 110486389
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride (CID 24879197) is N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc2cc([125I])ccc2n1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride?
The InChIKey is BMWCTQNXYUYZMV-GDGRXHIBSA-N. The full InChI is InChI=1S/C16H20IN3O.2ClH/c1-3-20(4-2)10-9-18-16(21)15-7-5-12-11-13(17)6-8-14(12)19-15;;/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21);2*1H/i17-2;;.
What are the key properties of N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride?
N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride has a molecular weight of 468.18 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 24879197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).