methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate

C22H20N2O4 — CID 25185247

IUPACmethyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3cc(C)ccn23)n2ccc(C)cc12
InChIInChI=1S/C22H20N2O4/c1-13-5-7-23-17(9-13)15(21(25)27-3)11-19(23)20-12-16(22(26)28-4)18-10-14(2)6-8-24(18)20/h5-12H,1-4H3
InChIKeyRMVLGCUHTIWPDX-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.05
Rot. Bonds3

About methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate

methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate (PubChem CID 25185247) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate
PubChem CID25185247
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3cc(C)ccn23)n2ccc(C)cc12
InChIInChI=1S/C22H20N2O4/c1-13-5-7-23-17(9-13)15(21(25)27-3)11-19(23)20-12-16(22(26)28-4)18-10-14(2)6-8-24(18)20/h5-12H,1-4H3
InChIKeyRMVLGCUHTIWPDX-UHFFFAOYSA-N
XLogP4.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
methyl 1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylate
CID 5327679
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Diethyl 2,6-dimethyl-2',4-bipyridine-3,5-dicarboxylate
CID 1070616
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate
CID 118436681
Methyl indolizine-2-carboxylate
CID 600232
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Ethyl 2-(4-fluorophenyl)indolizine-1-carboxylate
CID 1491186
Ethyl 2-(4-methylphenyl)-1-indolizinecarboxylate
CID 2763671

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate?
The IUPAC name of methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate (CID 25185247) is methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate?
The canonical SMILES for methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate is COC(=O)c1cc(-c2cc(C(=O)OC)c3cc(C)ccn23)n2ccc(C)cc12.
What is the InChIKey of methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate?
The InChIKey is RMVLGCUHTIWPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-5-7-23-17(9-13)15(21(25)27-3)11-19(23)20-12-16(22(26)28-4)18-10-14(2)6-8-24(18)20/h5-12H,1-4H3.
What are the key properties of methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate?
methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylate is sourced from PubChem (CID 25185247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).