tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate

C24H25NO8 — CID 4248128

IUPACtetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2c3ccc(C)cc3C(C)=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C24H25NO8/c1-12-8-9-15-14(10-12)13(2)11-24(3)18(22(28)32-6)16(20(26)30-4)17(21(27)31-5)19(25(15)24)23(29)33-7/h8-11H,1-7H3
InChIKeyLOGQLHHBOLQVRI-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.23
Rot. Bonds4

About tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate

tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate (PubChem CID 4248128) has the molecular formula C24H25NO8 and a molecular weight of 455.46 g/mol. Its IUPAC name is tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
PubChem CID4248128
Molecular FormulaC24H25NO8
Molecular Weight455.46 g/mol
Exact Mass455.16
IUPAC Nametetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2c3ccc(C)cc3C(C)=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C24H25NO8/c1-12-8-9-15-14(10-12)13(2)11-24(3)18(22(28)32-6)16(20(26)30-4)17(21(27)31-5)19(25(15)24)23(29)33-7/h8-11H,1-7H3
InChIKeyLOGQLHHBOLQVRI-UHFFFAOYSA-N
XLogP2.23
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.23
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 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate (CID 4248128) is tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N2c3ccc(C)cc3C(C)=CC2(C)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
The InChIKey is LOGQLHHBOLQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO8/c1-12-8-9-15-14(10-12)13(2)11-24(3)18(22(28)32-6)16(20(26)30-4)17(21(27)31-5)19(25(15)24)23(29)33-7/h8-11H,1-7H3.
What are the key properties of tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate has a molecular weight of 455.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 4a,6,8-trimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 4248128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).