2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide

C12H15N3O3 — CID 63576489

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
SMILESCC(Oc1ccc2c(c1)CCC(=O)N2)C(=O)NN
InChIInChI=1S/C12H15N3O3/c1-7(12(17)15-13)18-9-3-4-10-8(6-9)2-5-11(16)14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDCTBKJVICBKKLC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.33
Rot. Bonds3

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide (PubChem CID 63576489) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
PubChem CID63576489
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
SMILESCC(Oc1ccc2c(c1)CCC(=O)N2)C(=O)NN
InChIInChI=1S/C12H15N3O3/c1-7(12(17)15-13)18-9-3-4-10-8(6-9)2-5-11(16)14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDCTBKJVICBKKLC-UHFFFAOYSA-N
XLogP0.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
N-(2-methylpropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanamide
CID 114939986
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114357832
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 9487265
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide (CID 63576489) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide is CC(Oc1ccc2c(c1)CCC(=O)N2)C(=O)NN.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide?
The InChIKey is DCTBKJVICBKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(12(17)15-13)18-9-3-4-10-8(6-9)2-5-11(16)14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide has a molecular weight of 249.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide is sourced from PubChem (CID 63576489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).