ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate

C16H18N2O4 — CID 137259302

IUPACethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(=O)OCC)C=CC12
InChIInChI=1S/C16H18N2O4/c1-3-5-10-8-14(19)18-13-9-11(6-7-12(10)13)17-15(20)16(21)22-4-2/h6-9,12H,3-5H2,1-2H3,(H,18,19)/b17-11+
InChIKeyDIMDBRXTAAVKKD-GZTJUZNOSA-N
MW302.33 g/mol
LogP1.44
Rot. Bonds3

About ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate

ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate (PubChem CID 137259302) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate
PubChem CID137259302
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(=O)OCC)C=CC12
InChIInChI=1S/C16H18N2O4/c1-3-5-10-8-14(19)18-13-9-11(6-7-12(10)13)17-15(20)16(21)22-4-2/h6-9,12H,3-5H2,1-2H3,(H,18,19)/b17-11+
InChIKeyDIMDBRXTAAVKKD-GZTJUZNOSA-N
XLogP1.44
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate (CID 137259302) is ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate is CCCC1=CC(=O)NC2=C/C(=N/C(=O)C(=O)OCC)C=CC12.
What is the InChIKey of ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate?
The InChIKey is DIMDBRXTAAVKKD-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-5-10-8-14(19)18-13-9-11(6-7-12(10)13)17-15(20)16(21)22-4-2/h6-9,12H,3-5H2,1-2H3,(H,18,19)/b17-11+.
What are the key properties of ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate?
ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)amino]acetate is sourced from PubChem (CID 137259302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).