7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione

C100H69F5N10O23 — CID 158111294

IUPAC7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESC=CCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.CCC(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COCC(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.O=C1c2cccnc2C(=O)c2c1c(O)n(Cc1ccc(F)cc1)c2O
InChIInChI=1S/C21H15FN2O6.C21H15FN2O5.C21H15FN2O4.C19H13FN2O4.C18H11FN2O4/c1-29-10-14(25)30-19-13-3-2-8-23-17(13)18(26)15-16(19)21(28)24(20(15)27)9-11-4-6-12(22)7-5-11;1-2-14(25)29-19-13-4-3-9-23-17(13)18(26)15-16(19)21(28)24(20(15)27)10-11-5-7-12(22)8-6-11;1-2-10-28-19-14-4-3-9-23-17(14)18(25)15-16(19)21(27)24(20(15)26)11-12-5-7-13(22)8-6-12;1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10;19-10-5-3-9(4-6-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)2-1-7-20-14/h2-8,26H,9-10H2,1H3;3-9,26H,2,10H2,1H3;2-9,25H,1,10-11H2;2-8,23H,9H2,1H3;1-7,24-25H,8H2
InChIKeyBQLNDTDOMTXRGL-UHFFFAOYSA-N
MW1873.69 g/mol
LogP14.20
Rot. Bonds19

About 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione

7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 158111294) has the molecular formula C100H69F5N10O23 and a molecular weight of 1873.69 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID158111294
Molecular FormulaC100H69F5N10O23
Molecular Weight1873.69 g/mol
Exact Mass1872.45
IUPAC Name7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESC=CCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.CCC(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COCC(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.O=C1c2cccnc2C(=O)c2c1c(O)n(Cc1ccc(F)cc1)c2O
InChIInChI=1S/C21H15FN2O6.C21H15FN2O5.C21H15FN2O4.C19H13FN2O4.C18H11FN2O4/c1-29-10-14(25)30-19-13-3-2-8-23-17(13)18(26)15-16(19)21(28)24(20(15)27)9-11-4-6-12(22)7-5-11;1-2-14(25)29-19-13-4-3-9-23-17(13)18(26)15-16(19)21(28)24(20(15)27)10-11-5-7-12(22)8-6-11;1-2-10-28-19-14-4-3-9-23-17(14)18(25)15-16(19)21(27)24(20(15)26)11-12-5-7-13(22)8-6-12;1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10;19-10-5-3-9(4-6-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)2-1-7-20-14/h2-8,26H,9-10H2,1H3;3-9,26H,2,10H2,1H3;2-9,25H,1,10-11H2;2-8,23H,9H2,1H3;1-7,24-25H,8H2
InChIKeyBQLNDTDOMTXRGL-UHFFFAOYSA-N
XLogP14.20
TPSA454.71 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001873.69
LogP ≤ 514.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione (CID 158111294) is 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione is C=CCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.CCC(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COCC(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.O=C1c2cccnc2C(=O)c2c1c(O)n(Cc1ccc(F)cc1)c2O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is BQLNDTDOMTXRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O6.C21H15FN2O5.C21H15FN2O4.C19H13FN2O4.C18H11FN2O4/c1-29-10-14(25)30-19-13-3-2-8-23-17(13)18(26)15-16(19)21(28)24(20(15)27)9-11-4-6-12(22)7-5-11;1-2-14(25)29-19-13-4-3-9-23-17(13)18(26)15-16(19)21(28)24(20(15)27)10-11-5-7-12(22)8-6-11;1-2-10-28-19-14-4-3-9-23-17(14)18(25)15-16(19)21(27)24(20(15)26)11-12-5-7-13(22)8-6-12;1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10;19-10-5-3-9(4-6-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)2-1-7-20-14/h2-8,26H,9-10H2,1H3;3-9,26H,2,10H2,1H3;2-9,25H,1,10-11H2;2-8,23H,9H2,1H3;1-7,24-25H,8H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 1873.69 g/mol, XLogP of 14.20, 19 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6,8-dihydroxypyrrolo[3,4-g]quinoline-5,9-dione;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 2-methoxyacetate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] propanoate;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 158111294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).