N'-hydroxy-4-methoxyquinoline-3-carboximidamide

C11H11N3O2 — CID 43669877

IUPACN'-hydroxy-4-methoxyquinoline-3-carboximidamide
SMILESCOc1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C11H11N3O2/c1-16-10-7-4-2-3-5-9(7)13-6-8(10)11(12)14-15/h2-6,15H,1H3,(H2,12,14)
InChIKeyCNMVQKFBSJSEEX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.34
Rot. Bonds2

About N'-hydroxy-4-methoxyquinoline-3-carboximidamide

N'-hydroxy-4-methoxyquinoline-3-carboximidamide (PubChem CID 43669877) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N'-hydroxy-4-methoxyquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxyquinoline-3-carboximidamide
PubChem CID43669877
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN'-hydroxy-4-methoxyquinoline-3-carboximidamide
SMILESCOc1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C11H11N3O2/c1-16-10-7-4-2-3-5-9(7)13-6-8(10)11(12)14-15/h2-6,15H,1H3,(H2,12,14)
InChIKeyCNMVQKFBSJSEEX-UHFFFAOYSA-N
XLogP1.34
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
CID 54944051
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
CID 106669720
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
N'-hydroxy-4-(3-methylbutylsulfanyl)quinoline-3-carboximidamide
CID 107749788
N'-hydroxy-4-(1-methylimidazol-2-yl)sulfanylquinoline-3-carboximidamide
CID 43669930
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950
N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboximidamide
CID 104603132
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
4-[(2-methylpropan-2-yl)oxy]quinoline-3-carbothioamide
CID 43669739

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxyquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxyquinoline-3-carboximidamide (CID 43669877) is N'-hydroxy-4-methoxyquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxyquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxyquinoline-3-carboximidamide is COc1c(/C(N)=N/O)cnc2ccccc12.
What is the InChIKey of N'-hydroxy-4-methoxyquinoline-3-carboximidamide?
The InChIKey is CNMVQKFBSJSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-7-4-2-3-5-9(7)13-6-8(10)11(12)14-15/h2-6,15H,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-methoxyquinoline-3-carboximidamide?
N'-hydroxy-4-methoxyquinoline-3-carboximidamide has a molecular weight of 217.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxyquinoline-3-carboximidamide is sourced from PubChem (CID 43669877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).