methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate

C24H26ClNO3 — CID 139765111

IUPACmethyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cn2c1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClNO3/c1-5-8-18-21(13-16-9-6-7-10-19(16)25)26-14-17(24(28)29-4)11-12-20(26)22(18)23(27)15(2)3/h6-7,9-12,14-15H,5,8,13H2,1-4H3
InChIKeyLZMWZPCFRWYZPG-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.76
Rot. Bonds7

About methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate

methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate (PubChem CID 139765111) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
PubChem CID139765111
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Namemethyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cn2c1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClNO3/c1-5-8-18-21(13-16-9-6-7-10-19(16)25)26-14-17(24(28)29-4)11-12-20(26)22(18)23(27)15(2)3/h6-7,9-12,14-15H,5,8,13H2,1-4H3
InChIKeyLZMWZPCFRWYZPG-UHFFFAOYSA-N
XLogP5.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide
CID 139765109
methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
CID 11131658
methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate
CID 22627488
methyl 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propylindole-6-carboxylate
CID 22627428
methyl 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate
CID 22627324
methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propylindole-6-carboxylate
CID 10137253
methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-prop-1-en-2-ylindole-6-carboxylate
CID 67624107
methyl 3-(2-chlorobenzoyl)-2-ethylindolizine-6-carboxylate
CID 139765088
methyl 1-[(2-chlorophenyl)methyl]-3-(2-ethoxyacetyl)-2-propylindole-6-carboxylate
CID 22627302
methyl 2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359973
methyl 3-[(4-bromophenyl)methyl]-2-butylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 19032459
methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
CID 142833318

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate?
The IUPAC name of methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate (CID 139765111) is methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate.
What is the SMILES notation for methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate?
The canonical SMILES for methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate is CCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cn2c1Cc1ccccc1Cl.
What is the InChIKey of methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate?
The InChIKey is LZMWZPCFRWYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-5-8-18-21(13-16-9-6-7-10-19(16)25)26-14-17(24(28)29-4)11-12-20(26)22(18)23(27)15(2)3/h6-7,9-12,14-15H,5,8,13H2,1-4H3.
What are the key properties of methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate?
methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate has a molecular weight of 411.93 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate is sourced from PubChem (CID 139765111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).