methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate

C18H14ClNO3 — CID 139765095

IUPACmethyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate
SMILESCOC(=O)c1ccc2cc(C)c(C(=O)c3ccccc3Cl)n2c1
InChIInChI=1S/C18H14ClNO3/c1-11-9-13-8-7-12(18(22)23-2)10-20(13)16(11)17(21)14-5-3-4-6-15(14)19/h3-10H,1-2H3
InChIKeyZNXKLOIZVDXDBF-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.92
Rot. Bonds3

About methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate

methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate (PubChem CID 139765095) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate
PubChem CID139765095
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Namemethyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate
SMILESCOC(=O)c1ccc2cc(C)c(C(=O)c3ccccc3Cl)n2c1
InChIInChI=1S/C18H14ClNO3/c1-11-9-13-8-7-12(18(22)23-2)10-20(13)16(11)17(21)14-5-3-4-6-15(14)19/h3-10H,1-2H3
InChIKeyZNXKLOIZVDXDBF-UHFFFAOYSA-N
XLogP3.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate
CID 139765088
methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
CID 11131658
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
methyl 8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393557
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384822
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 68508040
methyl 2-(2-chlorophenyl)benzoate
CID 1393589

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate?
The IUPAC name of methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate (CID 139765095) is methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate?
The canonical SMILES for methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate is COC(=O)c1ccc2cc(C)c(C(=O)c3ccccc3Cl)n2c1.
What is the InChIKey of methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate?
The InChIKey is ZNXKLOIZVDXDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11-9-13-8-7-12(18(22)23-2)10-20(13)16(11)17(21)14-5-3-4-6-15(14)19/h3-10H,1-2H3.
What are the key properties of methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate?
methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate is sourced from PubChem (CID 139765095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).