methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate

C66H64N4O12 — CID 161027909

IUPACmethyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)cn1.COC(=O)Cc1ncccc1OCc1ccccc1.COC(=O)c1c(C)cn2cc(OCc3ccccc3)ccc12.COC(=O)c1c(C)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/2C18H17NO3.2C15H15NO3/c1-13-11-19-10-6-9-15(17(19)16(13)18(20)21-2)22-12-14-7-4-3-5-8-14;1-13-10-19-11-15(22-12-14-6-4-3-5-7-14)8-9-16(19)17(13)18(20)21-2;1-18-15(17)10-13-14(8-5-9-16-13)19-11-12-6-3-2-4-7-12;1-18-15(17)9-13-7-8-14(10-16-13)19-11-12-5-3-2-4-6-12/h2*3-11H,12H2,1-2H3;2-9H,10-11H2,1H3;2-8,10H,9,11H2,1H3
InChIKeyTZFRLVHZKUDSRU-UHFFFAOYSA-N
MW1105.25 g/mol
LogP11.98
Rot. Bonds18

About methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate

methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate (PubChem CID 161027909) has the molecular formula C66H64N4O12 and a molecular weight of 1105.25 g/mol. Its IUPAC name is methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate
PubChem CID161027909
Molecular FormulaC66H64N4O12
Molecular Weight1105.25 g/mol
Exact Mass1104.45
IUPAC Namemethyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)cn1.COC(=O)Cc1ncccc1OCc1ccccc1.COC(=O)c1c(C)cn2cc(OCc3ccccc3)ccc12.COC(=O)c1c(C)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/2C18H17NO3.2C15H15NO3/c1-13-11-19-10-6-9-15(17(19)16(13)18(20)21-2)22-12-14-7-4-3-5-8-14;1-13-10-19-11-15(22-12-14-6-4-3-5-7-14)8-9-16(19)17(13)18(20)21-2;1-18-15(17)10-13-14(8-5-9-16-13)19-11-12-6-3-2-4-7-12;1-18-15(17)9-13-7-8-14(10-16-13)19-11-12-5-3-2-4-6-12/h2*3-11H,12H2,1-2H3;2-9H,10-11H2,1H3;2-8,10H,9,11H2,1H3
InChIKeyTZFRLVHZKUDSRU-UHFFFAOYSA-N
XLogP11.98
TPSA176.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001105.25
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[[4-(6-Ethoxy-3-pyridinyl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]-3-(2-phenylacetyl)indol-2-yl]-2,2-dimethylpropanoic acid
CID 56850394
2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(pyridin-4-ylmethoxy)-indolizin-1-yl]-2-oxo-acetamide
CID 10624896
2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(pyridin-2-ylmethoxy)-indolizin-1-yl]-2-oxo-acetamide
CID 10767354
2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(quinolin-2-ylmethoxy)-indolizin-1-yl]-2-oxo-acetamide
CID 10530468
Methyl 7-(3-benzoyl-1-ethoxycarbonyl-indolizin-7-yl)-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 76325381
7-(2-Ethoxy-4-(ethyl(phenyl)amino)phenyl)-7-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-5(7H)-one
CID 18004145
Ethyl 7-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
CID 66666783
Ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667539
Ethyl 7-[(2,5-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667578
Ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667822
Bis[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(6-methoxypyridine-3-carbonyl)indol-3-yl] oxalate
CID 88116112
[1-[2-[Methyl-(2,2,2-trifluoroacetyl)amino]propanoyl]indolizin-8-yl] 4-[[1-(8-acetyloxyindolizin-1-yl)-1-oxopropan-2-yl]-methylamino]-4-oxobutanoate
CID 169203309

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate?
The IUPAC name of methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate (CID 161027909) is methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate is COC(=O)Cc1ccc(OCc2ccccc2)cn1.COC(=O)Cc1ncccc1OCc1ccccc1.COC(=O)c1c(C)cn2cc(OCc3ccccc3)ccc12.COC(=O)c1c(C)cn2cccc(OCc3ccccc3)c12.
What is the InChIKey of methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate?
The InChIKey is TZFRLVHZKUDSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17NO3.2C15H15NO3/c1-13-11-19-10-6-9-15(17(19)16(13)18(20)21-2)22-12-14-7-4-3-5-8-14;1-13-10-19-11-15(22-12-14-6-4-3-5-7-14)8-9-16(19)17(13)18(20)21-2;1-18-15(17)10-13-14(8-5-9-16-13)19-11-12-6-3-2-4-7-12;1-18-15(17)9-13-7-8-14(10-16-13)19-11-12-5-3-2-4-6-12/h2*3-11H,12H2,1-2H3;2-9H,10-11H2,1H3;2-8,10H,9,11H2,1H3.
What are the key properties of methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate?
methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate has a molecular weight of 1105.25 g/mol, XLogP of 11.98, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate is sourced from PubChem (CID 161027909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).