hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate

C12H15N3O4 — CID 114939971

IUPAChydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
SMILESNNOC(=O)CCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C12H15N3O4/c13-15-19-12(17)5-6-18-9-3-1-8-2-4-11(16)14-10(8)7-9/h1,3,7,15H,2,4-6,13H2,(H,14,16)
InChIKeyKJKSOGLJNJXLTN-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.26
Rot. Bonds5

About hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate

hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate (PubChem CID 114939971) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
PubChem CID114939971
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namehydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
SMILESNNOC(=O)CCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C12H15N3O4/c13-15-19-12(17)5-6-18-9-3-1-8-2-4-11(16)14-10(8)7-9/h1,3,7,15H,2,4-6,13H2,(H,14,16)
InChIKeyKJKSOGLJNJXLTN-UHFFFAOYSA-N
XLogP0.26
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide
CID 166437382

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate?
The IUPAC name of hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate (CID 114939971) is hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate?
The canonical SMILES for hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate is NNOC(=O)CCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate?
The InChIKey is KJKSOGLJNJXLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-15-19-12(17)5-6-18-9-3-1-8-2-4-11(16)14-10(8)7-9/h1,3,7,15H,2,4-6,13H2,(H,14,16).
What are the key properties of hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate?
hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate has a molecular weight of 265.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate is sourced from PubChem (CID 114939971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).