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

C18H26Cl2IN3O — CID 157235603

IUPACN-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride
SMILESCCCN(CCC)CCNC(=O)c1ccc2cc(I)ccc2n1.Cl.Cl
InChIInChI=1S/C18H24IN3O.2ClH/c1-3-10-22(11-4-2)12-9-20-18(23)17-7-5-14-13-15(19)6-8-16(14)21-17;;/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,23);2*1H
InChIKeyAQTOTCVWMIKMGQ-UHFFFAOYSA-N
MW498.24 g/mol
LogP4.53
Rot. Bonds8

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

N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride (PubChem CID 157235603) has the molecular formula C18H26Cl2IN3O and a molecular weight of 498.24 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride
PubChem CID157235603
Molecular FormulaC18H26Cl2IN3O
Molecular Weight498.24 g/mol
Exact Mass497.05
IUPAC NameN-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride
SMILESCCCN(CCC)CCNC(=O)c1ccc2cc(I)ccc2n1.Cl.Cl
InChIInChI=1S/C18H24IN3O.2ClH/c1-3-10-22(11-4-2)12-9-20-18(23)17-7-5-14-13-15(19)6-8-16(14)21-17;;/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,23);2*1H
InChIKeyAQTOTCVWMIKMGQ-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.24
LogP ≤ 54.53
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-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679
N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 158767738
N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430
6-fluoro-N-pentylquinoline-2-carboxamide
CID 110486389
N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 158106861
N-[2-[ethyl-[(E)-4-(18F)fluorobut-2-enyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712878
N-[2-[ethyl-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712880
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
CID 24797317
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride (CID 157235603) is N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride is CCCN(CCC)CCNC(=O)c1ccc2cc(I)ccc2n1.Cl.Cl.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride?
The InChIKey is AQTOTCVWMIKMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN3O.2ClH/c1-3-10-22(11-4-2)12-9-20-18(23)17-7-5-14-13-15(19)6-8-16(14)21-17;;/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,23);2*1H.
What are the key properties of N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride?
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride has a molecular weight of 498.24 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 157235603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).