4-hexoxy-N'-hydroxyquinoline-3-carboximidamide

C16H21N3O2 — CID 43669911

IUPAC4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
SMILESCCCCCCOc1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-2-3-4-7-10-21-15-12-8-5-6-9-14(12)18-11-13(15)16(17)19-20/h5-6,8-9,11,20H,2-4,7,10H2,1H3,(H2,17,19)
InChIKeyKLYUGHMGONHHEP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.29
Rot. Bonds7

About 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide

4-hexoxy-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 43669911) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
PubChem CID43669911
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
SMILESCCCCCCOc1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-2-3-4-7-10-21-15-12-8-5-6-9-14(12)18-11-13(15)16(17)19-20/h5-6,8-9,11,20H,2-4,7,10H2,1H3,(H2,17,19)
InChIKeyKLYUGHMGONHHEP-UHFFFAOYSA-N
XLogP3.29
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
CID 43669918
N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
4-pentoxyquinoline-3-carboxylic acid
CID 61339358
4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
CID 54944051
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
CID 61104811
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
9,10-dioctoxyanthracene
CID 21304201
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide (CID 43669911) is 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide is CCCCCCOc1c(/C(N)=N/O)cnc2ccccc12.
What is the InChIKey of 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is KLYUGHMGONHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-4-7-10-21-15-12-8-5-6-9-14(12)18-11-13(15)16(17)19-20/h5-6,8-9,11,20H,2-4,7,10H2,1H3,(H2,17,19).
What are the key properties of 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide?
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 287.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 43669911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).