7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-5-methoxy-1H-pyrrolo-[2,3-f]quinoline - CAS 133706-80-6
Catalog: |
BB067326 |
Product Name: |
7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-5-methoxy-1H-pyrrolo-[2,3-f]quinoline |
CAS: |
133706-80-6 |
Synonyms: |
5-Methoxy-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid 2-Ethyl 7,9-Dimethyl Ester |
IUPAC Name: | 2-O-ethyl 7-O,9-O-dimethyl 5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate |
Description: | 7,9-Dimethoxycarbonyl-2-ethoxycarbonyl-5-methoxy-1H-pyrrolo-[2,3-f]quinoline (cas# 133706-80-6) is a compound useful in organic synthesis. |
Molecular Weight: | 386.36 |
Molecular Formula: | C19H18N2O7 |
Canonical SMILES: | CCOC(=O)C1=CC2=CC(=C3C(=C(C=C(N3)C(=O)OC)C(=O)OC)C2=N1)OC |
InChI: | InChI=1S/C19H18N2O7/c1-5-28-19(24)11-6-9-7-13(25-2)16-14(15(9)20-11)10(17(22)26-3)8-12(21-16)18(23)27-4/h6-8,21H,5H2,1-4H3 |
InChI Key: | ZIJAJIRBYLUHPB-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Off-White Solid |
Complexity: | 961 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 386.11140092 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 386.11140092 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 113Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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