N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide

C13H15N3O3 — CID 43669918

IUPACN'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
SMILESN/C(=N\O)c1cnc2ccccc2c1OCCCO
InChIInChI=1S/C13H15N3O3/c14-13(16-18)10-8-15-11-5-2-1-4-9(11)12(10)19-7-3-6-17/h1-2,4-5,8,17-18H,3,6-7H2,(H2,14,16)
InChIKeyZMYKNULQJQLWDI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.09
Rot. Bonds5

About N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide

N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide (PubChem CID 43669918) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
PubChem CID43669918
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
SMILESN/C(=N\O)c1cnc2ccccc2c1OCCCO
InChIInChI=1S/C13H15N3O3/c14-13(16-18)10-8-15-11-5-2-1-4-9(11)12(10)19-7-3-6-17/h1-2,4-5,8,17-18H,3,6-7H2,(H2,14,16)
InChIKeyZMYKNULQJQLWDI-UHFFFAOYSA-N
XLogP1.09
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
CID 54944051
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
CID 61104811
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
CID 106669720
N'-hydroxy-4-(3-methylbutylsulfanyl)quinoline-3-carboximidamide
CID 107749788
3-[3-(3-methylsulfanylquinolin-4-yl)sulfanylquinolin-4-yl]oxypropan-1-ol
CID 15456220
4-pentoxyquinoline-3-carboxylic acid
CID 61339358
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide (CID 43669918) is N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide is N/C(=N\O)c1cnc2ccccc2c1OCCCO.
What is the InChIKey of N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide?
The InChIKey is ZMYKNULQJQLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-13(16-18)10-8-15-11-5-2-1-4-9(11)12(10)19-7-3-6-17/h1-2,4-5,8,17-18H,3,6-7H2,(H2,14,16).
What are the key properties of N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide?
N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide has a molecular weight of 261.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide is sourced from PubChem (CID 43669918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).