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

C22H24N2O4 — CID 2364854

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1CC
InChIInChI=1S/C22H24N2O4/c1-3-8-18-16(4-2)21(17-10-5-6-11-19(17)24-18)22(26)28-14-20(25)23-13-15-9-7-12-27-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,25)
InChIKeyOFCOOKIPAWNEOI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.82
Rot. Bonds8

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 2364854) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID2364854
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1CC
InChIInChI=1S/C22H24N2O4/c1-3-8-18-16(4-2)21(17-10-5-6-11-19(17)24-18)22(26)28-14-20(25)23-13-15-9-7-12-27-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,25)
InChIKeyOFCOOKIPAWNEOI-UHFFFAOYSA-N
XLogP3.82
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.82
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] 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate (CID 2364854) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1CC.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is OFCOOKIPAWNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-8-18-16(4-2)21(17-10-5-6-11-19(17)24-18)22(26)28-14-20(25)23-13-15-9-7-12-27-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.82, 8 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] 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 2364854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).