diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate

C18H20N2O5 — CID 54322974

IUPACdiethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate
SMILESCCOC(=O)C(Cc1cccc2cccnc12)(NC=O)C(=O)OCC
InChIInChI=1S/C18H20N2O5/c1-3-24-16(22)18(20-12-21,17(23)25-4-2)11-14-8-5-7-13-9-6-10-19-15(13)14/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeySSXUMSWGUSSQKL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.39
Rot. Bonds8

About diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate

diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate (PubChem CID 54322974) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate
PubChem CID54322974
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namediethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate
SMILESCCOC(=O)C(Cc1cccc2cccnc12)(NC=O)C(=O)OCC
InChIInChI=1S/C18H20N2O5/c1-3-24-16(22)18(20-12-21,17(23)25-4-2)11-14-8-5-7-13-9-6-10-19-15(13)14/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeySSXUMSWGUSSQKL-UHFFFAOYSA-N
XLogP1.39
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-quinolin-8-ylacetate
CID 52562898
diethyl 2-formamido-2-[(4-methyl-1H-indol-3-yl)methyl]propanedioate
CID 11002496
ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
CID 103258791
diethyl 2-[(4-acetamido-1H-indol-3-yl)methyl]-2-formamidopropanedioate
CID 14268620
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
diethyl 2-[(5-acetamido-1H-indol-3-yl)methyl]-2-formamidopropanedioate
CID 14268621
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250

Frequently Asked Questions

What is the IUPAC name of diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate?
The IUPAC name of diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate (CID 54322974) is diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate.
What is the SMILES notation for diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate?
The canonical SMILES for diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate is CCOC(=O)C(Cc1cccc2cccnc12)(NC=O)C(=O)OCC.
What is the InChIKey of diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate?
The InChIKey is SSXUMSWGUSSQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-24-16(22)18(20-12-21,17(23)25-4-2)11-14-8-5-7-13-9-6-10-19-15(13)14/h5-10,12H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate?
diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate has a molecular weight of 344.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate is sourced from PubChem (CID 54322974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).