ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate

C19H16ClFN2O3 — CID 155127618

IUPACethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2n1
InChIInChI=1S/C19H16ClFN2O3/c1-3-25-19(24)11(2)26-17-7-6-15-13(8-9-22-18(15)23-17)14-5-4-12(21)10-16(14)20/h4-11H,3H2,1-2H3
InChIKeyZMNBADFZJZGUHV-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.42
Rot. Bonds5

About ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate

ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate (PubChem CID 155127618) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate
PubChem CID155127618
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Nameethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2n1
InChIInChI=1S/C19H16ClFN2O3/c1-3-25-19(24)11(2)26-17-7-6-15-13(8-9-22-18(15)23-17)14-5-4-12(21)10-16(14)20/h4-11H,3H2,1-2H3
InChIKeyZMNBADFZJZGUHV-UHFFFAOYSA-N
XLogP4.42
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate?
The IUPAC name of ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate (CID 155127618) is ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate is CCOC(=O)C(C)Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2n1.
What is the InChIKey of ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate?
The InChIKey is ZMNBADFZJZGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-3-25-19(24)11(2)26-17-7-6-15-13(8-9-22-18(15)23-17)14-5-4-12(21)10-16(14)20/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate?
ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate has a molecular weight of 374.80 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate is sourced from PubChem (CID 155127618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).