dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate

C19H20ClNO4 — CID 23212969

IUPACdimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate
SMILESCOC(=O)C1=C(C)N2CCCC2=C(C(=O)OC)C1c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-11-15(18(22)24-2)16(12-6-8-13(20)9-7-12)17(19(23)25-3)14-5-4-10-21(11)14/h6-9,16H,4-5,10H2,1-3H3
InChIKeyCYRGOAPNSWZLDO-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.41
Rot. Bonds3

About dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate

dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate (PubChem CID 23212969) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate
PubChem CID23212969
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namedimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate
SMILESCOC(=O)C1=C(C)N2CCCC2=C(C(=O)OC)C1c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-11-15(18(22)24-2)16(12-6-8-13(20)9-7-12)17(19(23)25-3)14-5-4-10-21(11)14/h6-9,16H,4-5,10H2,1-3H3
InChIKeyCYRGOAPNSWZLDO-UHFFFAOYSA-N
XLogP3.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-acetyl-7-(2,3-dichlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-8-carboxylate
CID 22129968
dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 102146845
methyl (6R,7S)-6-benzamido-7-(4-chlorophenyl)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
CID 71739113
methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 5306273
[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate
CID 70344957
methyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2855527
methyl (6S)-6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 803222
dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2167221
methyl 4-(4-chlorophenyl)-1,3,6-trimethyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
CID 139237803
8-O-ethyl 6-O-methyl (2S,7R)-5-amino-7-(4-chlorophenyl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 40624125
6-O-ethyl 8-O-methyl (2S,7R)-5-amino-7-(4-chlorophenyl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 1264098
methyl (6S)-6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694303

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate?
The IUPAC name of dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate (CID 23212969) is dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate.
What is the SMILES notation for dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate?
The canonical SMILES for dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate is COC(=O)C1=C(C)N2CCCC2=C(C(=O)OC)C1c1ccc(Cl)cc1.
What is the InChIKey of dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate?
The InChIKey is CYRGOAPNSWZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-11-15(18(22)24-2)16(12-6-8-13(20)9-7-12)17(19(23)25-3)14-5-4-10-21(11)14/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate?
dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate has a molecular weight of 361.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate is sourced from PubChem (CID 23212969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).