tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate

C18H19NO8 — CID 11841593

IUPACtetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C=CC=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C18H19NO8/c1-18-8-6-7-9-19(18)13(17(23)27-5)11(15(21)25-3)10(14(20)24-2)12(18)16(22)26-4/h6-9H,1-5H3
InChIKeyMVLRFVJPKWICQX-UHFFFAOYSA-N
MW377.35 g/mol
LogP0.39
Rot. Bonds4

About tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate

tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate (PubChem CID 11841593) has the molecular formula C18H19NO8 and a molecular weight of 377.35 g/mol. Its IUPAC name is tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate
PubChem CID11841593
Molecular FormulaC18H19NO8
Molecular Weight377.35 g/mol
Exact Mass377.11
IUPAC Nametetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C=CC=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C18H19NO8/c1-18-8-6-7-9-19(18)13(17(23)27-5)11(15(21)25-3)10(14(20)24-2)12(18)16(22)26-4/h6-9H,1-5H3
InChIKeyMVLRFVJPKWICQX-UHFFFAOYSA-N
XLogP0.39
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 50.39
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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Frequently Asked Questions

What is the IUPAC name of tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate (CID 11841593) is tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N2C=CC=CC2(C)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate?
The InChIKey is MVLRFVJPKWICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO8/c1-18-8-6-7-9-19(18)13(17(23)27-5)11(15(21)25-3)10(14(20)24-2)12(18)16(22)26-4/h6-9H,1-5H3.
What are the key properties of tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate?
tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate has a molecular weight of 377.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 9a-methylquinolizine-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 11841593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).