[7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate

C35H46FN5O5Si — CID 58928891

About [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate

[7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 58928891) has the molecular formula C35H46FN5O5Si and a molecular weight of 663.87 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate
• PubChem CID: 58928891
• Molecular Formula: C35H46FN5O5Si
• Molecular Weight: 663.87 g/mol
• Exact Mass: 663.33
• IUPAC Name: [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate
• SMILES: CC(C)[Si](Oc1c2c(c(OC(=O)N3CCN(C(=O)N(C)C)CC3)c3cccnc13)CN(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C
• InChI: InChI=1S/C35H46FN5O5Si/c1-22(2)47(23(3)4,24(5)6)46-32-29-28(21-41(33(29)42)20-25-11-13-26(36)14-12-25)31(27-10-9-15-37-30(27)32)45-35(44)40-18-16-39(17-19-40)34(43)38(7)8/h9-15,22-24H,16-21H2,1-8H3
• InChIKey: PQHXLQGMWQPZFQ-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 95.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.87
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate?

The IUPAC name of [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate (CID 58928891) is [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate.

What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate?

The canonical SMILES for [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate is CC(C)[Si](Oc1c2c(c(OC(=O)N3CCN(C(=O)N(C)C)CC3)c3cccnc13)CN(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C.

What is the InChIKey of [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate?

The InChIKey is PQHXLQGMWQPZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46FN5O5Si/c1-22(2)47(23(3)4,24(5)6)46-32-29-28(21-41(33(29)42)20-25-11-13-26(36)14-12-25)31(27-10-9-15-37-30(27)32)45-35(44)40-18-16-39(17-19-40)34(43)38(7)8/h9-15,22-24H,16-21H2,1-8H3.

What are the key properties of [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate?

[7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 663.87 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 58928891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).