ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium

C14H16NO4P — CID 140996441

IUPACethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium
SMILESCCOC(=O)n1c(=[P+]([O-])OCC)ccc2ccccc21
InChIInChI=1S/C14H16NO4P/c1-3-18-14(16)15-12-8-6-5-7-11(12)9-10-13(15)20(17)19-4-2/h5-10H,3-4H2,1-2H3
InChIKeyJRWDNYXEQAJGAH-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.89
Rot. Bonds3

About ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium

ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium (PubChem CID 140996441) has the molecular formula C14H16NO4P and a molecular weight of 293.26 g/mol. Its IUPAC name is ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium.

Molecular Properties

Compound Nameethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium
PubChem CID140996441
Molecular FormulaC14H16NO4P
Molecular Weight293.26 g/mol
Exact Mass293.08
IUPAC Nameethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium
SMILESCCOC(=O)n1c(=[P+]([O-])OCC)ccc2ccccc21
InChIInChI=1S/C14H16NO4P/c1-3-18-14(16)15-12-8-6-5-7-11(12)9-10-13(15)20(17)19-4-2/h5-10H,3-4H2,1-2H3
InChIKeyJRWDNYXEQAJGAH-UHFFFAOYSA-N
XLogP2.89
TPSA63.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate
CID 71533944
ethyl 3-amino-2-benzoylindole-1-carboxylate
CID 10638516
ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate
CID 81297624
ethyl N-(1-benzylquinolin-2-ylidene)carbamate
CID 20981932
ethyl 2-hydroxy-6-phenylindole-1-carboxylate
CID 57179740
ethyl 2-indol-1-yloxyacetate
CID 19786741
ethyl acetate;phenanthrene
CID 160726264
ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
CID 640772
(2R)-2-(1-ethoxycarbonylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 40533709
ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate
CID 102335949
ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate
CID 110273598
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852

Frequently Asked Questions

What is the IUPAC name of ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium?
The IUPAC name of ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium (CID 140996441) is ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium.
What is the SMILES notation for ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium?
The canonical SMILES for ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium is CCOC(=O)n1c(=[P+]([O-])OCC)ccc2ccccc21.
What is the InChIKey of ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium?
The InChIKey is JRWDNYXEQAJGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO4P/c1-3-18-14(16)15-12-8-6-5-7-11(12)9-10-13(15)20(17)19-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium?
ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium has a molecular weight of 293.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium is sourced from PubChem (CID 140996441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).