ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate

C17H11ClF2N2O3 — CID 2801022

IUPACethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cncc(Cl)c1
InChIInChI=1S/C17H11ClF2N2O3/c1-2-24-17(23)11-8-22-15-13(20)4-3-12(19)14(15)16(11)25-10-5-9(18)6-21-7-10/h3-8H,2H2,1H3
InChIKeyUTLLMDGOSGSLDZ-UHFFFAOYSA-N
MW364.74 g/mol
LogP4.53
Rot. Bonds4

About ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate

ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate (PubChem CID 2801022) has the molecular formula C17H11ClF2N2O3 and a molecular weight of 364.74 g/mol. Its IUPAC name is ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate
PubChem CID2801022
Molecular FormulaC17H11ClF2N2O3
Molecular Weight364.74 g/mol
Exact Mass364.04
IUPAC Nameethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cncc(Cl)c1
InChIInChI=1S/C17H11ClF2N2O3/c1-2-24-17(23)11-8-22-15-13(20)4-3-12(19)14(15)16(11)25-10-5-9(18)6-21-7-10/h3-8H,2H2,1H3
InChIKeyUTLLMDGOSGSLDZ-UHFFFAOYSA-N
XLogP4.53
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate (CID 2801022) is ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cncc(Cl)c1.
What is the InChIKey of ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate?
The InChIKey is UTLLMDGOSGSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O3/c1-2-24-17(23)11-8-22-15-13(20)4-3-12(19)14(15)16(11)25-10-5-9(18)6-21-7-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate?
ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate has a molecular weight of 364.74 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-chloro-3-pyridinyl)oxy]-5,8-difluoroquinoline-3-carboxylate is sourced from PubChem (CID 2801022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).