dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate

C24H27NO5 — CID 70055909

IUPACdimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate
SMILESCOC(=O)C1=C(C)N2CCc3ccoc3C2(C)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C24H27NO5/c1-14-6-8-16(9-7-14)19-18(22(26)28-4)15(2)25-12-10-17-11-13-30-21(17)24(25,3)20(19)23(27)29-5/h6-9,11,13,19-20H,10,12H2,1-5H3
InChIKeyBQSFOJVTXCWJCU-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.69
Rot. Bonds3

About dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate

dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate (PubChem CID 70055909) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate
PubChem CID70055909
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Namedimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate
SMILESCOC(=O)C1=C(C)N2CCc3ccoc3C2(C)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C24H27NO5/c1-14-6-8-16(9-7-14)19-18(22(26)28-4)15(2)25-12-10-17-11-13-30-21(17)24(25,3)20(19)23(27)29-5/h6-9,11,13,19-20H,10,12H2,1-5H3
InChIKeyBQSFOJVTXCWJCU-UHFFFAOYSA-N
XLogP3.69
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate?
The IUPAC name of dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate (CID 70055909) is dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate.
What is the SMILES notation for dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate?
The canonical SMILES for dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate is COC(=O)C1=C(C)N2CCc3ccoc3C2(C)C(C(=O)OC)C1c1ccc(C)cc1.
What is the InChIKey of dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate?
The InChIKey is BQSFOJVTXCWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-14-6-8-16(9-7-14)19-18(22(26)28-4)15(2)25-12-10-17-11-13-30-21(17)24(25,3)20(19)23(27)29-5/h6-9,11,13,19-20H,10,12H2,1-5H3.
What are the key properties of dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate?
dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate has a molecular weight of 409.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate is sourced from PubChem (CID 70055909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).