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

C23H23NO8 — CID 5065893

IUPACtetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2c3ccc(C)cc3C=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C23H23NO8/c1-12-7-8-14-13(11-12)9-10-23(2)17(21(27)31-5)15(19(25)29-3)16(20(26)30-4)18(24(14)23)22(28)32-6/h7-11H,1-6H3
InChIKeyBCRRAGSAYSEFFS-UHFFFAOYSA-N
MW441.44 g/mol
LogP1.84
Rot. Bonds4

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

tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate (PubChem CID 5065893) has the molecular formula C23H23NO8 and a molecular weight of 441.44 g/mol. Its IUPAC name is tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
PubChem CID5065893
Molecular FormulaC23H23NO8
Molecular Weight441.44 g/mol
Exact Mass441.14
IUPAC Nametetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2c3ccc(C)cc3C=CC2(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C23H23NO8/c1-12-7-8-14-13(11-12)9-10-23(2)17(21(27)31-5)15(19(25)29-3)16(20(26)30-4)18(24(14)23)22(28)32-6/h7-11H,1-6H3
InChIKeyBCRRAGSAYSEFFS-UHFFFAOYSA-N
XLogP1.84
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 51.84
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,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate (CID 5065893) is tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N2c3ccc(C)cc3C=CC2(C)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
The InChIKey is BCRRAGSAYSEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO8/c1-12-7-8-14-13(11-12)9-10-23(2)17(21(27)31-5)15(19(25)29-3)16(20(26)30-4)18(24(14)23)22(28)32-6/h7-11H,1-6H3.
What are the key properties of tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate?
tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate has a molecular weight of 441.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 4a,8-dimethylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 5065893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).