5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one

C63H64F2N6O10Si — CID 159514741

About 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one

5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one (PubChem CID 159514741) has the molecular formula C63H64F2N6O10Si and a molecular weight of 1131.32 g/mol. Its IUPAC name is 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one.

Molecular Properties

• Compound Name: 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one
• PubChem CID: 159514741
• Molecular Formula: C63H64F2N6O10Si
• Molecular Weight: 1131.32 g/mol
• Exact Mass: 1130.44
• IUPAC Name: 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one
• SMILES: COc1ccc(CN2C(=O)c3c(c(O[Si](C(C)C)(C(C)C)C(C)C)c4ncc(Cc5ccc(F)cc5)cc4c3N)C2=O)c(OC)c1.[H]/N=C1\c2cc(Cc3ccc(F)cc3)cnc2C(=O)c2c1c(O)n(Cc1ccc(OC)cc1OC)c2O
• InChI: InChI=1S/C36H42FN3O5Si.C27H22FN3O5/c1-20(2)46(21(3)4,22(5)6)45-34-31-30(35(41)40(36(31)42)19-25-11-14-27(43-7)17-29(25)44-8)32(38)28-16-24(18-39-33(28)34)15-23-9-12-26(37)13-10-23;1-35-18-8-5-16(20(11-18)36-2)13-31-26(33)21-22(27(31)34)25(32)24-19(23(21)29)10-15(12-30-24)9-14-3-6-17(28)7-4-14/h9-14,16-18,20-22H,15,19,38H2,1-8H3;3-8,10-12,29,33-34H,9,13H2,1-2H3/b;29-23+
• InChIKey: ODBVJHGUQVZUJM-AYSFDUSZSA-N
• XLogP: 11.96
• TPSA: 221.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.32
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one?

The IUPAC name of 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one (CID 159514741) is 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one.

What is the SMILES notation for 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one?

The canonical SMILES for 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one is COc1ccc(CN2C(=O)c3c(c(O[Si](C(C)C)(C(C)C)C(C)C)c4ncc(Cc5ccc(F)cc5)cc4c3N)C2=O)c(OC)c1.[H]/N=C1\c2cc(Cc3ccc(F)cc3)cnc2C(=O)c2c1c(O)n(Cc1ccc(OC)cc1OC)c2O.

What is the InChIKey of 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one?

The InChIKey is ODBVJHGUQVZUJM-AYSFDUSZSA-N. The full InChI is InChI=1S/C36H42FN3O5Si.C27H22FN3O5/c1-20(2)46(21(3)4,22(5)6)45-34-31-30(35(41)40(36(31)42)19-25-11-14-27(43-7)17-29(25)44-8)32(38)28-16-24(18-39-33(28)34)15-23-9-12-26(37)13-10-23;1-35-18-8-5-16(20(11-18)36-2)13-31-26(33)21-22(27(31)34)25(32)24-19(23(21)29)10-15(12-30-24)9-14-3-6-17(28)7-4-14/h9-14,16-18,20-22H,15,19,38H2,1-8H3;3-8,10-12,29,33-34H,9,13H2,1-2H3/b;29-23+.

What are the key properties of 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one?

5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one has a molecular weight of 1131.32 g/mol, XLogP of 11.96, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-6,8-dihydroxy-5-iminopyrrolo[3,4-g]quinolin-9-one is sourced from PubChem (CID 159514741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).