dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate

C23H22N2O6 — CID 10788352

IUPACdimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate
SMILESCOC(=O)c1cc2c3c(cc(OCc4ccccc4)c2[nH]1)N(C(=O)OC)CC(OC)=C3
InChIInChI=1S/C23H22N2O6/c1-28-15-9-16-17-10-18(22(26)29-2)24-21(17)20(31-13-14-7-5-4-6-8-14)11-19(16)25(12-15)23(27)30-3/h4-11,24H,12-13H2,1-3H3
InChIKeyDPAWXMREMKFXAD-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.11
Rot. Bonds5

About dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate

dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate (PubChem CID 10788352) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate
PubChem CID10788352
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Namedimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate
SMILESCOC(=O)c1cc2c3c(cc(OCc4ccccc4)c2[nH]1)N(C(=O)OC)CC(OC)=C3
InChIInChI=1S/C23H22N2O6/c1-28-15-9-16-17-10-18(22(26)29-2)24-21(17)20(31-13-14-7-5-4-6-8-14)11-19(16)25(12-15)23(27)30-3/h4-11,24H,12-13H2,1-3H3
InChIKeyDPAWXMREMKFXAD-UHFFFAOYSA-N
XLogP4.11
TPSA90.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate?
The IUPAC name of dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate (CID 10788352) is dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate?
The canonical SMILES for dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate is COC(=O)c1cc2c3c(cc(OCc4ccccc4)c2[nH]1)N(C(=O)OC)CC(OC)=C3.
What is the InChIKey of dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate?
The InChIKey is DPAWXMREMKFXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-28-15-9-16-17-10-18(22(26)29-2)24-21(17)20(31-13-14-7-5-4-6-8-14)11-19(16)25(12-15)23(27)30-3/h4-11,24H,12-13H2,1-3H3.
What are the key properties of dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate?
dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate has a molecular weight of 422.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate is sourced from PubChem (CID 10788352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).