N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide

C13H17N3O3 — CID 76915648

IUPACN'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
SMILESCCC(Oc1ccc2c(c1)CCC(=O)N2)C(N)=NO
InChIInChI=1S/C13H17N3O3/c1-2-11(13(14)16-18)19-9-4-5-10-8(7-9)3-6-12(17)15-10/h4-5,7,11,18H,2-3,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWKOFDKUGCISXHW-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.48
Rot. Bonds4

About N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide

N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide (PubChem CID 76915648) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
PubChem CID76915648
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
SMILESCCC(Oc1ccc2c(c1)CCC(=O)N2)C(N)=NO
InChIInChI=1S/C13H17N3O3/c1-2-11(13(14)16-18)19-9-4-5-10-8(7-9)3-6-12(17)15-10/h4-5,7,11,18H,2-3,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWKOFDKUGCISXHW-UHFFFAOYSA-N
XLogP1.48
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.48
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

methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
pentyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanoate
CID 12821891
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114357832
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
2-(ethylamino)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 63038955
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide (CID 76915648) is N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide is CCC(Oc1ccc2c(c1)CCC(=O)N2)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide?
The InChIKey is WKOFDKUGCISXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-11(13(14)16-18)19-9-4-5-10-8(7-9)3-6-12(17)15-10/h4-5,7,11,18H,2-3,6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide?
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide has a molecular weight of 263.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide is sourced from PubChem (CID 76915648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).