N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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

C62H78F2N6O8Si2 — CID 158119880

About N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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

N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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 (PubChem CID 158119880) has the molecular formula C62H78F2N6O8Si2 and a molecular weight of 1129.51 g/mol. Its IUPAC name is N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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.

Molecular Properties

• Compound Name: N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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
• PubChem CID: 158119880
• Molecular Formula: C62H78F2N6O8Si2
• Molecular Weight: 1129.51 g/mol
• Exact Mass: 1128.54
• IUPAC Name: N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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
• SMILES: CC(=O)NNC(=O)Cc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2.CC(C)[Si](Oc1c2c(c(CC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C
• InChI: InChI=1S/C32H41FN4O4Si.C30H37FN2O4Si/c1-18(2)42(19(3)4,20(5)6)41-31-29-27(17-37(8)32(29)40)25(15-28(39)36-35-21(7)38)26-14-23(16-34-30(26)31)13-22-9-11-24(33)12-10-22;1-17(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/h9-12,14,16,18-20H,13,15,17H2,1-8H3,(H,35,38)(H,36,39);8-11,13,15,17-19H,12,14,16H2,1-7H3,(H,34,35)
• InChIKey: FRMAPSRUHAQBQB-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 180.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.51
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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?

The IUPAC name of N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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 (CID 158119880) is N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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.

What is the SMILES notation for N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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?

The canonical SMILES for N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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 is CC(=O)NNC(=O)Cc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2.CC(C)[Si](Oc1c2c(c(CC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C.

What is the InChIKey of N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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?

The InChIKey is FRMAPSRUHAQBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN4O4Si.C30H37FN2O4Si/c1-18(2)42(19(3)4,20(5)6)41-31-29-27(17-37(8)32(29)40)25(15-28(39)36-35-21(7)38)26-14-23(16-34-30(26)31)13-22-9-11-24(33)12-10-22;1-17(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/h9-12,14,16,18-20H,13,15,17H2,1-8H3,(H,35,38)(H,36,39);8-11,13,15,17-19H,12,14,16H2,1-7H3,(H,34,35).

What are the key properties of N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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?

N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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 has a molecular weight of 1129.51 g/mol, XLogP of 12.55, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-acetyl-2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetohydrazide;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 is sourced from PubChem (CID 158119880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).