dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate

C24H25NO8 — CID 10575728

IUPACdimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate
SMILESCOC(=O)c1cc2c3c(cc(OCc4ccccc4)c2o1)N(C(=O)OC)CC(OC)(OC)C3
InChIInChI=1S/C24H25NO8/c1-28-22(26)20-10-16-17-12-24(30-3,31-4)14-25(23(27)29-2)18(17)11-19(21(16)33-20)32-13-15-8-6-5-7-9-15/h5-11H,12-14H2,1-4H3
InChIKeyNWIZSCGVQQJGKG-UHFFFAOYSA-N
MW455.46 g/mol
LogP3.92
Rot. Bonds6

About dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate

dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate (PubChem CID 10575728) has the molecular formula C24H25NO8 and a molecular weight of 455.46 g/mol. Its IUPAC name is dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate
PubChem CID10575728
Molecular FormulaC24H25NO8
Molecular Weight455.46 g/mol
Exact Mass455.16
IUPAC Namedimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate
SMILESCOC(=O)c1cc2c3c(cc(OCc4ccccc4)c2o1)N(C(=O)OC)CC(OC)(OC)C3
InChIInChI=1S/C24H25NO8/c1-28-22(26)20-10-16-17-12-24(30-3,31-4)14-25(23(27)29-2)18(17)11-19(21(16)33-20)32-13-15-8-6-5-7-9-15/h5-11H,12-14H2,1-4H3
InChIKeyNWIZSCGVQQJGKG-UHFFFAOYSA-N
XLogP3.92
TPSA96.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate?
The IUPAC name of dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate (CID 10575728) is dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate?
The canonical SMILES for dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate is COC(=O)c1cc2c3c(cc(OCc4ccccc4)c2o1)N(C(=O)OC)CC(OC)(OC)C3.
What is the InChIKey of dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate?
The InChIKey is NWIZSCGVQQJGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO8/c1-28-22(26)20-10-16-17-12-24(30-3,31-4)14-25(23(27)29-2)18(17)11-19(21(16)33-20)32-13-15-8-6-5-7-9-15/h5-11H,12-14H2,1-4H3.
What are the key properties of dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate?
dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate has a molecular weight of 455.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8,8-dimethoxy-4-phenylmethoxy-7,9-dihydrofuro[3,2-f]quinoline-2,6-dicarboxylate is sourced from PubChem (CID 10575728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).