N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide

C11H11N3O3 — CID 135907593

IUPACN'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide
SMILESCOc1ccc2[nH]c(=O)c(/C(N)=N\O)cc2c1
InChIInChI=1S/C11H11N3O3/c1-17-7-2-3-9-6(4-7)5-8(10(12)14-16)11(15)13-9/h2-5,16H,1H3,(H2,12,14)(H,13,15)
InChIKeyIOCDYVUEPWGDOR-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.63
Rot. Bonds2

About N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide

N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide (PubChem CID 135907593) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide
PubChem CID135907593
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide
SMILESCOc1ccc2[nH]c(=O)c(/C(N)=N\O)cc2c1
InChIInChI=1S/C11H11N3O3/c1-17-7-2-3-9-6(4-7)5-8(10(12)14-16)11(15)13-9/h2-5,16H,1H3,(H2,12,14)(H,13,15)
InChIKeyIOCDYVUEPWGDOR-UHFFFAOYSA-N
XLogP0.63
TPSA100.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
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

6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide
CID 135704525
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
CID 166187773
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 167894443
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
CID 154773914
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide (CID 135907593) is N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide is COc1ccc2[nH]c(=O)c(/C(N)=N\O)cc2c1.
What is the InChIKey of N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide?
The InChIKey is IOCDYVUEPWGDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-7-2-3-9-6(4-7)5-8(10(12)14-16)11(15)13-9/h2-5,16H,1H3,(H2,12,14)(H,13,15).
What are the key properties of N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide?
N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide has a molecular weight of 233.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide is sourced from PubChem (CID 135907593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).