2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine

C57H60F2N8O7S2Si — CID 158246990

About 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine

2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine (PubChem CID 158246990) has the molecular formula C57H60F2N8O7S2Si and a molecular weight of 1099.37 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine
• PubChem CID: 158246990
• Molecular Formula: C57H60F2N8O7S2Si
• Molecular Weight: 1099.37 g/mol
• Exact Mass: 1098.38
• IUPAC Name: 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine
• SMILES: CC(C)[Si](Oc1c2c(c(CC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2nccs2)C1=O.Nc1nccs1
• InChI: InChI=1S/C30H37FN2O4Si.C24H19FN4O3S.C3H4N2S/c1-17(2)38(18(3)4,19(5)6)37-29-27-25(16-33(7)30(27)36)23(14-26(34)35)24-13-21(15-32-28(24)29)12-20-8-10-22(31)11-9-20;1-29-12-18-16(10-19(30)28-24-26-6-7-33-24)17-9-14(8-13-2-4-15(25)5-3-13)11-27-21(17)22(31)20(18)23(29)32;4-3-5-1-2-6-3/h8-11,13,15,17-19H,12,14,16H2,1-7H3,(H,34,35);2-7,9,11,31H,8,10,12H2,1H3,(H,26,28,30);1-2H,(H2,4,5)
• InChIKey: GGFWPCICUUHAKJ-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 214.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.37
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine?

The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine (CID 158246990) is 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine.

What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine?

The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine is CC(C)[Si](Oc1c2c(c(CC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2nccs2)C1=O.Nc1nccs1.

What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine?

The InChIKey is GGFWPCICUUHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN2O4Si.C24H19FN4O3S.C3H4N2S/c1-17(2)38(18(3)4,19(5)6)37-29-27-25(16-33(7)30(27)36)23(14-26(34)35)24-13-21(15-32-28(24)29)12-20-8-10-22(31)11-9-20;1-29-12-18-16(10-19(30)28-24-26-6-7-33-24)17-9-14(8-13-2-4-15(25)5-3-13)11-27-21(17)22(31)20(18)23(29)32;4-3-5-1-2-6-3/h8-11,13,15,17-19H,12,14,16H2,1-7H3,(H,34,35);2-7,9,11,31H,8,10,12H2,1H3,(H,26,28,30);1-2H,(H2,4,5).

What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine?

2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine has a molecular weight of 1099.37 g/mol, XLogP of 11.35, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;1,3-thiazol-2-amine is sourced from PubChem (CID 158246990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).