ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate

C20H16F3NO4 — CID 170530629

IUPACethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H16F3NO4/c1-3-28-19(26)15-11-17(18(25)12-4-6-14(27-2)7-5-12)24-9-8-13(10-16(15)24)20(21,22)23/h4-11H,3H2,1-2H3
InChIKeyMTJHGMKSQDJJEA-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.37
Rot. Bonds5

About ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate

ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate (PubChem CID 170530629) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
PubChem CID170530629
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC Nameethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H16F3NO4/c1-3-28-19(26)15-11-17(18(25)12-4-6-14(27-2)7-5-12)24-9-8-13(10-16(15)24)20(21,22)23/h4-11H,3H2,1-2H3
InChIKeyMTJHGMKSQDJJEA-UHFFFAOYSA-N
XLogP4.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
CID 170222187
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 3-(4-bromobenzoyl)-7-[3-(4-bromobenzoyl)-1-ethoxycarbonylindolizin-7-yl]indolizine-1-carboxylate
CID 101053717
ethyl 7-(4-bromobenzoyl)-3-(4-methoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4183130
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564
ethyl 3-(furan-2-yl)-7-[4-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4153674
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
ethyl 7-methoxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043147
ethyl 3-(3,5-dimethoxybenzoyl)-7-[1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]indolizine-1-carboxylate bromide
CID 164946316
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate (CID 170530629) is ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(C(F)(F)F)cc12.
What is the InChIKey of ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate?
The InChIKey is MTJHGMKSQDJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c1-3-28-19(26)15-11-17(18(25)12-4-6-14(27-2)7-5-12)24-9-8-13(10-16(15)24)20(21,22)23/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate?
ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate has a molecular weight of 391.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate is sourced from PubChem (CID 170530629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).