4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide

C16H19ClIN3O — CID 66942500

IUPAC4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2ccc(I)cc2c1Cl
InChIInChI=1S/C16H19ClIN3O/c1-3-21(4-2)8-7-19-16(22)13-10-20-14-6-5-11(18)9-12(14)15(13)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyAORAXPYVACGASD-UHFFFAOYSA-N
MW431.71 g/mol
LogP3.56
Rot. Bonds6

About 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide

4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide (PubChem CID 66942500) has the molecular formula C16H19ClIN3O and a molecular weight of 431.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
PubChem CID66942500
Molecular FormulaC16H19ClIN3O
Molecular Weight431.71 g/mol
Exact Mass431.03
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2ccc(I)cc2c1Cl
InChIInChI=1S/C16H19ClIN3O/c1-3-21(4-2)8-7-19-16(22)13-10-20-14-6-5-11(18)9-12(14)15(13)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyAORAXPYVACGASD-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.71
LogP ≤ 53.56
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

2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 158767738
N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide
CID 66945735
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
CID 23734239
N-[2-[ethyl-[(E)-4-(18F)fluorobut-2-enyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712878
4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
CID 44590767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide (CID 66942500) is 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide is CCN(CC)CCNC(=O)c1cnc2ccc(I)cc2c1Cl.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide?
The InChIKey is AORAXPYVACGASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClIN3O/c1-3-21(4-2)8-7-19-16(22)13-10-20-14-6-5-11(18)9-12(14)15(13)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide?
4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide has a molecular weight of 431.71 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide is sourced from PubChem (CID 66942500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).