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'} |
|---|
Analyze [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N-(2-oxoethyl)-N-(2-oxoethylcarbamoyl)carbamate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
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).