tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate

C20H23NO8 — CID 102437181

IUPACtetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C(C)=CC(C)=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C20H23NO8/c1-10-8-11(2)21-15(19(25)29-7)13(17(23)27-5)12(16(22)26-4)14(18(24)28-6)20(21,3)9-10/h8-9H,1-7H3
InChIKeyJIYFVHVTMKERTP-UHFFFAOYSA-N
MW405.40 g/mol
LogP1.17
Rot. Bonds4

About tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate

tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate (PubChem CID 102437181) has the molecular formula C20H23NO8 and a molecular weight of 405.40 g/mol. Its IUPAC name is tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate
PubChem CID102437181
Molecular FormulaC20H23NO8
Molecular Weight405.40 g/mol
Exact Mass405.14
IUPAC Nametetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C(C)=CC(C)=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C20H23NO8/c1-10-8-11(2)21-15(19(25)29-7)13(17(23)27-5)12(16(22)26-4)14(18(24)28-6)20(21,3)9-10/h8-9H,1-7H3
InChIKeyJIYFVHVTMKERTP-UHFFFAOYSA-N
XLogP1.17
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate
CID 11841593
tetramethyl (9aS)-7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylate
CID 7309333
tetramethyl (9aS)-9a-ethenylquinolizine-1,2,3,4-tetracarboxylate
CID 7314354
tetramethyl 1'-(4-ethoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,6'-pyridine]-2',3',4',5'-tetracarboxylate
CID 102337384
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
dimethyl 1-(3-methoxy-4-methylphenyl)-4,5-dioxopyrrole-2,3-dicarboxylate
CID 135053058
tetramethyl 1-benzyl-1'-(4-tert-butylphenyl)-2-oxospiro[indole-3,6'-pyridine]-2',3',4',5'-tetracarboxylate
CID 102337382
methyl 3-bromo-1,4,7-trimethyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 71215345
methyl 3,3,4,4-tetrafluorocyclobutene-1-carboxylate
CID 154176405
pentamethyl 5-(4-iodoanilino)cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylate
CID 4863313
dimethyl 2-(dimethylamino)-1,8-dimethyl-3-oxo-2-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate
CID 134846489
dimethyl 6-methyl-2-phenyl-2-(trifluoromethyl)-11bH-[1,3]oxazino[2,3-a]isoquinoline-3,4-dicarboxylate
CID 102490360

Frequently Asked Questions

What is the IUPAC name of tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate (CID 102437181) is tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N2C(C)=CC(C)=CC2(C)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate?
The InChIKey is JIYFVHVTMKERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO8/c1-10-8-11(2)21-15(19(25)29-7)13(17(23)27-5)12(16(22)26-4)14(18(24)28-6)20(21,3)9-10/h8-9H,1-7H3.
What are the key properties of tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate?
tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate has a molecular weight of 405.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 6,8,9a-trimethylquinolizine-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 102437181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).