methyl 1-benzoyl-2-phenylindolizine-3-carboxylate

C23H17NO3 — CID 23251514

IUPACmethyl 1-benzoyl-2-phenylindolizine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)c2ccccn12
InChIInChI=1S/C23H17NO3/c1-27-23(26)21-19(16-10-4-2-5-11-16)20(18-14-8-9-15-24(18)21)22(25)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyYXRNSOOTRFYYGB-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.62
Rot. Bonds4

About methyl 1-benzoyl-2-phenylindolizine-3-carboxylate

methyl 1-benzoyl-2-phenylindolizine-3-carboxylate (PubChem CID 23251514) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 1-benzoyl-2-phenylindolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzoyl-2-phenylindolizine-3-carboxylate
PubChem CID23251514
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Namemethyl 1-benzoyl-2-phenylindolizine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)c2ccccn12
InChIInChI=1S/C23H17NO3/c1-27-23(26)21-19(16-10-4-2-5-11-16)20(18-14-8-9-15-24(18)21)22(25)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyYXRNSOOTRFYYGB-UHFFFAOYSA-N
XLogP4.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435
methyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982755
cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
CID 132941529
methyl 2-(1-benzoyl-2-methylindolizin-3-yl)-2-oxoacetate
CID 69122341
2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
CID 10689548
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395
3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizine-1-carboxylic acid
CID 151503394
dibutyl 3-benzoylindolizine-1,2-dicarboxylate
CID 141260266
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
CID 71613072

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzoyl-2-phenylindolizine-3-carboxylate?
The IUPAC name of methyl 1-benzoyl-2-phenylindolizine-3-carboxylate (CID 23251514) is methyl 1-benzoyl-2-phenylindolizine-3-carboxylate.
What is the SMILES notation for methyl 1-benzoyl-2-phenylindolizine-3-carboxylate?
The canonical SMILES for methyl 1-benzoyl-2-phenylindolizine-3-carboxylate is COC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)c2ccccn12.
What is the InChIKey of methyl 1-benzoyl-2-phenylindolizine-3-carboxylate?
The InChIKey is YXRNSOOTRFYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-27-23(26)21-19(16-10-4-2-5-11-16)20(18-14-8-9-15-24(18)21)22(25)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of methyl 1-benzoyl-2-phenylindolizine-3-carboxylate?
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzoyl-2-phenylindolizine-3-carboxylate is sourced from PubChem (CID 23251514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).