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

C19H16ClNO3 — CID 139765088

IUPACmethyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate
SMILESCCc1cc2ccc(C(=O)OC)cn2c1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO3/c1-3-12-10-14-9-8-13(19(23)24-2)11-21(14)17(12)18(22)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3
InChIKeyREQINYAOCSCACK-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.17
Rot. Bonds4

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

methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate (PubChem CID 139765088) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate
PubChem CID139765088
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Namemethyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate
SMILESCCc1cc2ccc(C(=O)OC)cn2c1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO3/c1-3-12-10-14-9-8-13(19(23)24-2)11-21(14)17(12)18(22)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3
InChIKeyREQINYAOCSCACK-UHFFFAOYSA-N
XLogP4.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-chlorobenzoyl)-2-methylindolizine-6-carboxylate
CID 139765095
methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
CID 11131658
(3,5-dichloro-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
CID 13029405
methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
CID 139765111
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
1-(2-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)ethane-1,2-dione
CID 163651211
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 1037884
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate
CID 22627324
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
methyl 4-[2-(bromomethyl)benzoyl]benzoate
CID 58257260

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate?
The IUPAC name of methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate (CID 139765088) is methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate?
The canonical SMILES for methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate is CCc1cc2ccc(C(=O)OC)cn2c1C(=O)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate?
The InChIKey is REQINYAOCSCACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-3-12-10-14-9-8-13(19(23)24-2)11-21(14)17(12)18(22)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3.
What are the key properties of methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate?
methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 4.17, 4 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-ethylindolizine-6-carboxylate is sourced from PubChem (CID 139765088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).