N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide

C17H20IN3O3 — CID 122182565

IUPACN'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide
SMILESO=C(CCCCCC(=O)NCc1ccc2cc(I)ccc2n1)NO
InChIInChI=1S/C17H20IN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
InChIKeyKXQHREIQPUNVJP-UHFFFAOYSA-N
MW441.27 g/mol
LogP2.91
Rot. Bonds8

About N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide

N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide (PubChem CID 122182565) has the molecular formula C17H20IN3O3 and a molecular weight of 441.27 g/mol. Its IUPAC name is N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide
PubChem CID122182565
Molecular FormulaC17H20IN3O3
Molecular Weight441.27 g/mol
Exact Mass441.05
IUPAC NameN'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide
SMILESO=C(CCCCCC(=O)NCc1ccc2cc(I)ccc2n1)NO
InChIInChI=1S/C17H20IN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
InChIKeyKXQHREIQPUNVJP-UHFFFAOYSA-N
XLogP2.91
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Quinolinecarboxamide, N-hydroxy-
CID 148031
2-(2-methylquinolin-4-ylamino)-N-phenylacetamide
CID 44596230
5-(1,2-dithiolan-3-yl)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]pentanamide
CID 11304963
N-(quinolin-3-yl)-6-(sulfamoylamino)hexanamide
CID 44591342
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
N-benzylquinoline-2-carboxamide
CID 1547970
9-Acridinecarboxamide, 1,2,3,4-tetrahydro-N-(1-methylethyl)-
CID 824113
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-quinolinylmethyl)amino)-
CID 454388
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(quinolin-2-ylmethylamino)butanediamide
CID 10504595
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-1-oxo-3-quinolin-8-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44311187

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide (CID 122182565) is N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide is O=C(CCCCCC(=O)NCc1ccc2cc(I)ccc2n1)NO.
What is the InChIKey of N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide?
The InChIKey is KXQHREIQPUNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23).
What are the key properties of N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide?
N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide has a molecular weight of 441.27 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide is sourced from PubChem (CID 122182565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).