ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate

C117H93F15N6O19 — CID 158407849

IUPACethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cc(F)cc(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
InChIInChI=1S/2C20H15F4NO3.C20H19NO4.C19H14F3NO3.2C19H15F2NO3/c1-2-27-19(26)14-8-13-4-5-15(9-18(13)25-10-14)28-11-12-3-6-17(21)16(7-12)20(22,23)24;1-2-27-19(26)14-7-13-3-4-17(9-18(13)25-10-14)28-11-12-5-15(20(22,23)24)8-16(21)6-12;1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2;1-2-25-19(24)13-7-12-3-4-14(8-17(12)23-9-13)26-10-11-5-15(20)18(22)16(21)6-11;1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-16(20)17(21)7-12;1-2-24-19(23)14-7-13-3-4-17(9-18(13)22-10-14)25-11-12-5-15(20)8-16(21)6-12/h2*3-10H,2,11H2,1H3;4-12H,3,13H2,1-2H3;3-9H,2,10H2,1H3;2*3-10H,2,11H2,1H3
InChIKeyGYXQURZEYBIJIP-UHFFFAOYSA-N
MW2172.02 g/mol
LogP27.24
Rot. Bonds31

About ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate

ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate (PubChem CID 158407849) has the molecular formula C117H93F15N6O19 and a molecular weight of 2172.02 g/mol. Its IUPAC name is ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
PubChem CID158407849
Molecular FormulaC117H93F15N6O19
Molecular Weight2172.02 g/mol
Exact Mass2170.63
IUPAC Nameethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cc(F)cc(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
InChIInChI=1S/2C20H15F4NO3.C20H19NO4.C19H14F3NO3.2C19H15F2NO3/c1-2-27-19(26)14-8-13-4-5-15(9-18(13)25-10-14)28-11-12-3-6-17(21)16(7-12)20(22,23)24;1-2-27-19(26)14-7-13-3-4-17(9-18(13)25-10-14)28-11-12-5-15(20(22,23)24)8-16(21)6-12;1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2;1-2-25-19(24)13-7-12-3-4-14(8-17(12)23-9-13)26-10-11-5-15(20)18(22)16(21)6-11;1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-16(20)17(21)7-12;1-2-24-19(23)14-7-13-3-4-17(9-18(13)22-10-14)25-11-12-5-15(20)8-16(21)6-12/h2*3-10H,2,11H2,1H3;4-12H,3,13H2,1-2H3;3-9H,2,10H2,1H3;2*3-10H,2,11H2,1H3
InChIKeyGYXQURZEYBIJIP-UHFFFAOYSA-N
XLogP27.24
TPSA299.75 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002172.02
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate with MolForge

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Related Compounds

Ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296056
Ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296058
Ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296266
Ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296267
Ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296270
Ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296271
Ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296272
Ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296464
Ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
CID 86296465
Ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate
CID 86301018
Ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate
CID 86296268
Ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate
CID 86296269

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate (CID 158407849) is ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cc(F)cc(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is GYXQURZEYBIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15F4NO3.C20H19NO4.C19H14F3NO3.2C19H15F2NO3/c1-2-27-19(26)14-8-13-4-5-15(9-18(13)25-10-14)28-11-12-3-6-17(21)16(7-12)20(22,23)24;1-2-27-19(26)14-7-13-3-4-17(9-18(13)25-10-14)28-11-12-5-15(20(22,23)24)8-16(21)6-12;1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2;1-2-25-19(24)13-7-12-3-4-14(8-17(12)23-9-13)26-10-11-5-15(20)18(22)16(21)6-11;1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-16(20)17(21)7-12;1-2-24-19(23)14-7-13-3-4-17(9-18(13)22-10-14)25-11-12-5-15(20)8-16(21)6-12/h2*3-10H,2,11H2,1H3;4-12H,3,13H2,1-2H3;3-9H,2,10H2,1H3;2*3-10H,2,11H2,1H3.
What are the key properties of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 2172.02 g/mol, XLogP of 27.24, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 158407849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).