ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate

C22H18N2O4 — CID 2816517

IUPACethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2
InChIInChI=1S/C22H18N2O4/c1-2-26-19(25)13-28-22-17(12-23)20(18-8-5-11-27-18)16-10-9-14-6-3-4-7-15(14)21(16)24-22/h3-8,11H,2,9-10,13H2,1H3
InChIKeyJFSWDHKRJXDNRI-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.92
Rot. Bonds5

About ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate

ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate (PubChem CID 2816517) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate
PubChem CID2816517
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Nameethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2
InChIInChI=1S/C22H18N2O4/c1-2-26-19(25)13-28-22-17(12-23)20(18-8-5-11-27-18)16-10-9-14-6-3-4-7-15(14)21(16)24-22/h3-8,11H,2,9-10,13H2,1H3
InChIKeyJFSWDHKRJXDNRI-UHFFFAOYSA-N
XLogP3.92
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate (CID 2816517) is ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate is CCOC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2.
What is the InChIKey of ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate?
The InChIKey is JFSWDHKRJXDNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-2-26-19(25)13-28-22-17(12-23)20(18-8-5-11-27-18)16-10-9-14-6-3-4-7-15(14)21(16)24-22/h3-8,11H,2,9-10,13H2,1H3.
What are the key properties of ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate?
ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate has a molecular weight of 374.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-cyano-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy]acetate is sourced from PubChem (CID 2816517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).