[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C20H20N2O4 — CID 2364135

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1C
InChIInChI=1S/C20H20N2O4/c1-3-16-13(2)19(15-8-4-5-9-17(15)22-16)20(24)26-12-18(23)21-11-14-7-6-10-25-14/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyKJNSYIJUFMQZSM-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.17
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2364135) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2364135
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1C
InChIInChI=1S/C20H20N2O4/c1-3-16-13(2)19(15-8-4-5-9-17(15)22-16)20(24)26-12-18(23)21-11-14-7-6-10-25-14/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyKJNSYIJUFMQZSM-UHFFFAOYSA-N
XLogP3.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2364135) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1C.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is KJNSYIJUFMQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-16-13(2)19(15-8-4-5-9-17(15)22-16)20(24)26-12-18(23)21-11-14-7-6-10-25-14/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2364135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).