methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate

C18H20N2O5 — CID 14667558

IUPACmethyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
SMILESCOC(=O)C12CCC(=O)N1CCc1c2[nH]c2c(OC)cc(OC)cc12
InChIInChI=1S/C18H20N2O5/c1-23-10-8-12-11-5-7-20-14(21)4-6-18(20,17(22)25-3)16(11)19-15(12)13(9-10)24-2/h8-9,19H,4-7H2,1-3H3
InChIKeyPUQYQDVOBGUVFA-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.73
Rot. Bonds3

About methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate

methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate (PubChem CID 14667558) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate.

Molecular Properties

Compound Namemethyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
PubChem CID14667558
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
SMILESCOC(=O)C12CCC(=O)N1CCc1c2[nH]c2c(OC)cc(OC)cc12
InChIInChI=1S/C18H20N2O5/c1-23-10-8-12-11-5-7-20-14(21)4-6-18(20,17(22)25-3)16(11)19-15(12)13(9-10)24-2/h8-9,19H,4-7H2,1-3H3
InChIKeyPUQYQDVOBGUVFA-UHFFFAOYSA-N
XLogP1.73
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The IUPAC name of methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate (CID 14667558) is methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate.
What is the SMILES notation for methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The canonical SMILES for methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate is COC(=O)C12CCC(=O)N1CCc1c2[nH]c2c(OC)cc(OC)cc12.
What is the InChIKey of methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The InChIKey is PUQYQDVOBGUVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-10-8-12-11-5-7-20-14(21)4-6-18(20,17(22)25-3)16(11)19-15(12)13(9-10)24-2/h8-9,19H,4-7H2,1-3H3.
What are the key properties of methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8,10-dimethoxy-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate is sourced from PubChem (CID 14667558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).