ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate

C18H14BrNO3 — CID 165114047

IUPACethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccc(Br)c2)n2cccc2c1
InChIInChI=1S/C18H14BrNO3/c1-2-23-18(22)13-10-15-7-4-8-20(15)16(11-13)17(21)12-5-3-6-14(19)9-12/h3-11H,2H2,1H3
InChIKeyWWTFMTIKGAMKBK-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.11
Rot. Bonds4

About ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate

ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate (PubChem CID 165114047) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate
PubChem CID165114047
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Nameethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccc(Br)c2)n2cccc2c1
InChIInChI=1S/C18H14BrNO3/c1-2-23-18(22)13-10-15-7-4-8-20(15)16(11-13)17(21)12-5-3-6-14(19)9-12/h3-11H,2H2,1H3
InChIKeyWWTFMTIKGAMKBK-UHFFFAOYSA-N
XLogP4.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067
ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
CID 171758357
diethyl benzene-1,3-dicarboxylate
CID 12491
[2-(3-bromophenyl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284665
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
ethyl 2,3-dibromoindolizine-7-carboxylate
CID 102279056
ethyl 7-benzoylindolizine-2-carboxylate
CID 71386260
methyl 5-(furan-2-carbonyl)indolizine-7-carboxylate
CID 165114034
ethyl 1-[2-(3-bromobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 2346503
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 3-(4-bromobenzoyl)-7-[3-(4-bromobenzoyl)-1-ethoxycarbonylindolizin-7-yl]indolizine-1-carboxylate
CID 101053717
5-(3-bromobenzoyl)oxypentyl 3-bromobenzoate
CID 91694636

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate?
The IUPAC name of ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate (CID 165114047) is ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate.
What is the SMILES notation for ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate?
The canonical SMILES for ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate is CCOC(=O)c1cc(C(=O)c2cccc(Br)c2)n2cccc2c1.
What is the InChIKey of ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate?
The InChIKey is WWTFMTIKGAMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-2-23-18(22)13-10-15-7-4-8-20(15)16(11-13)17(21)12-5-3-6-14(19)9-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate?
ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate has a molecular weight of 372.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate is sourced from PubChem (CID 165114047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).