ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate

C19H13F6NO4 — CID 44572687

IUPACethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)o1
InChIInChI=1S/C19H13F6NO4/c1-2-28-17(27)13-7-6-10(30-13)9-29-14-8-15(19(23,24)25)26-16-11(14)4-3-5-12(16)18(20,21)22/h3-8H,2,9H2,1H3
InChIKeyBMEQRPWZWCPGPB-UHFFFAOYSA-N
MW433.30 g/mol
LogP5.62
Rot. Bonds5

About ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate

ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate (PubChem CID 44572687) has the molecular formula C19H13F6NO4 and a molecular weight of 433.30 g/mol. Its IUPAC name is ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate
PubChem CID44572687
Molecular FormulaC19H13F6NO4
Molecular Weight433.30 g/mol
Exact Mass433.07
IUPAC Nameethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)o1
InChIInChI=1S/C19H13F6NO4/c1-2-28-17(27)13-7-6-10(30-13)9-29-14-8-15(19(23,24)25)26-16-11(14)4-3-5-12(16)18(20,21)22/h3-8H,2,9H2,1H3
InChIKeyBMEQRPWZWCPGPB-UHFFFAOYSA-N
XLogP5.62
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2098683
Methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2404039
Ethyl 5-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-3-carboxylate
CID 16750574
Butyl 5-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-3-carboxylate
CID 46230030
(E)-1-(furan-2-yl)-3-[3-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-one
CID 71570809
Ethyl 5-[[2-(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-3-carboxylate
CID 44572346
Methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2566752
Ethyl 5-[1-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxy]ethyl]isoxazole-3-carboxylate
CID 44549203
Ethyl 5-[1-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxy]-1-methyl-ethyl]isoxazole-3-carboxylate
CID 44549204
Ethyl 5-[[2,6-bis(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-3-carboxylate
CID 44572347
Ethyl 5-[[8-methyl-2-(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-3-carboxylate
CID 44572404
Ethyl 3-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-5-carboxylate
CID 44572600

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate (CID 44572687) is ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)o1.
What is the InChIKey of ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate?
The InChIKey is BMEQRPWZWCPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6NO4/c1-2-28-17(27)13-7-6-10(30-13)9-29-14-8-15(19(23,24)25)26-16-11(14)4-3-5-12(16)18(20,21)22/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate?
ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate has a molecular weight of 433.30 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 44572687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).