N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide

C16H20IN3O2 — CID 66945735

IUPACN-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(I)cc2c(=O)cc[nH]c12
InChIInChI=1S/C16H20IN3O2/c1-3-20(4-2)8-7-19-16(22)13-10-11(17)9-12-14(21)5-6-18-15(12)13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOQQDONBSUYVQFH-UHFFFAOYSA-N
MW413.26 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide

N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide (PubChem CID 66945735) has the molecular formula C16H20IN3O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide
PubChem CID66945735
Molecular FormulaC16H20IN3O2
Molecular Weight413.26 g/mol
Exact Mass413.06
IUPAC NameN-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(I)cc2c(=O)cc[nH]c12
InChIInChI=1S/C16H20IN3O2/c1-3-20(4-2)8-7-19-16(22)13-10-11(17)9-12-14(21)5-6-18-15(12)13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOQQDONBSUYVQFH-UHFFFAOYSA-N
XLogP2.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
CID 66942500
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide (CID 66945735) is N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide is CCN(CC)CCNC(=O)c1cc(I)cc2c(=O)cc[nH]c12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide?
The InChIKey is OQQDONBSUYVQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O2/c1-3-20(4-2)8-7-19-16(22)13-10-11(17)9-12-14(21)5-6-18-15(12)13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide?
N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide is sourced from PubChem (CID 66945735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).