[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C18H22N2O6 — CID 2435886

IUPAC[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCOCCN(CCOC)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H22N2O6/c1-24-9-7-20(8-10-25-2)17(22)12-26-18(23)14-11-16(21)19-15-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3,(H,19,21)
InChIKeyPBMPYEZCVDQZJL-UHFFFAOYSA-N
MW362.38 g/mol
LogP0.81
Rot. Bonds9

About [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2435886) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2435886
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCOCCN(CCOC)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H22N2O6/c1-24-9-7-20(8-10-25-2)17(22)12-26-18(23)14-11-16(21)19-15-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3,(H,19,21)
InChIKeyPBMPYEZCVDQZJL-UHFFFAOYSA-N
XLogP0.81
TPSA97.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 71888056
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4087645
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2435886) is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is COCCN(CCOC)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is PBMPYEZCVDQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-24-9-7-20(8-10-25-2)17(22)12-26-18(23)14-11-16(21)19-15-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).