[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate

C24H19FN4O7 — CID 89212640

About [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate

[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate (PubChem CID 89212640) has the molecular formula C24H19FN4O7 and a molecular weight of 494.44 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate.

Molecular Properties

• Compound Name: [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate
• PubChem CID: 89212640
• Molecular Formula: C24H19FN4O7
• Molecular Weight: 494.44 g/mol
• Exact Mass: 494.12
• IUPAC Name: [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate
• SMILES: O=CCNC(=O)N(CC=O)C(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
• InChI: InChI=1S/C24H19FN4O7/c25-15-5-3-14(4-6-15)12-28-13-17-18(22(28)33)20(32)19-16(2-1-7-26-19)21(17)36-24(35)29(9-11-31)23(34)27-8-10-30/h1-7,10-11,32H,8-9,12-13H2,(H,27,34)
• InChIKey: ZGZQNFNBJIDRDN-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 146.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.44
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate?

The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate (CID 89212640) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate.

What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate?

The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate is O=CCNC(=O)N(CC=O)C(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.

What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate?

The InChIKey is ZGZQNFNBJIDRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O7/c25-15-5-3-14(4-6-15)12-28-13-17-18(22(28)33)20(32)19-16(2-1-7-26-19)21(17)36-24(35)29(9-11-31)23(34)27-8-10-30/h1-7,10-11,32H,8-9,12-13H2,(H,27,34).

What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate?

[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate has a molecular weight of 494.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate is sourced from PubChem (CID 89212640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).