N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide

C12H13N3O2 — CID 135704524

IUPACN'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide
SMILESCc1cc(C)c2cc(/C(N)=N/O)c(=O)[nH]c2c1
InChIInChI=1S/C12H13N3O2/c1-6-3-7(2)8-5-9(11(13)15-17)12(16)14-10(8)4-6/h3-5,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIXYUCXSMPUVKGM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.24
Rot. Bonds1

About N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide

N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide (PubChem CID 135704524) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide
PubChem CID135704524
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide
SMILESCc1cc(C)c2cc(/C(N)=N/O)c(=O)[nH]c2c1
InChIInChI=1S/C12H13N3O2/c1-6-3-7(2)8-5-9(11(13)15-17)12(16)14-10(8)4-6/h3-5,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIXYUCXSMPUVKGM-UHFFFAOYSA-N
XLogP1.24
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

CID 22247325
CID 22247325
CID 864977
CID 864977
CID 43156039
CID 43156039
CID 43156118
CID 43156118
CID 43333032
CID 43333032
CID 9567487
CID 9567487
CID 9587255
CID 9587255
CID 9567394
CID 9567394
CID 5324967
CID 5324967
CID 2237241
CID 2237241
CID 6454245
CID 6454245
CID 5736230
CID 5736230

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide (CID 135704524) is N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide is Cc1cc(C)c2cc(/C(N)=N/O)c(=O)[nH]c2c1.
What is the InChIKey of N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide?
The InChIKey is IXYUCXSMPUVKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-6-3-7(2)8-5-9(11(13)15-17)12(16)14-10(8)4-6/h3-5,17H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide?
N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide has a molecular weight of 231.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,7-dimethyl-2-oxo-1H-quinoline-3-carboximidamide is sourced from PubChem (CID 135704524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).