ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate

C25H28FNO4 — CID 59368709

IUPACethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate
SMILESCCOC(=O)CCc1ccc(COc2cccc3c2N(C(=O)C2CC2)CCC3)cc1F
InChIInChI=1S/C25H28FNO4/c1-2-30-23(28)13-12-18-9-8-17(15-21(18)26)16-31-22-7-3-5-19-6-4-14-27(24(19)22)25(29)20-10-11-20/h3,5,7-9,15,20H,2,4,6,10-14,16H2,1H3
InChIKeyRJODZVSSHGOQTG-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.59
Rot. Bonds8

About ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate

ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate (PubChem CID 59368709) has the molecular formula C25H28FNO4 and a molecular weight of 425.50 g/mol. Its IUPAC name is ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate
PubChem CID59368709
Molecular FormulaC25H28FNO4
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Nameethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate
SMILESCCOC(=O)CCc1ccc(COc2cccc3c2N(C(=O)C2CC2)CCC3)cc1F
InChIInChI=1S/C25H28FNO4/c1-2-30-23(28)13-12-18-9-8-17(15-21(18)26)16-31-22-7-3-5-19-6-4-14-27(24(19)22)25(29)20-10-11-20/h3,5,7-9,15,20H,2,4,6,10-14,16H2,1H3
InChIKeyRJODZVSSHGOQTG-UHFFFAOYSA-N
XLogP4.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate?
The IUPAC name of ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate (CID 59368709) is ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate is CCOC(=O)CCc1ccc(COc2cccc3c2N(C(=O)C2CC2)CCC3)cc1F.
What is the InChIKey of ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate?
The InChIKey is RJODZVSSHGOQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO4/c1-2-30-23(28)13-12-18-9-8-17(15-21(18)26)16-31-22-7-3-5-19-6-4-14-27(24(19)22)25(29)20-10-11-20/h3,5,7-9,15,20H,2,4,6,10-14,16H2,1H3.
What are the key properties of ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate?
ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate has a molecular weight of 425.50 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate is sourced from PubChem (CID 59368709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).