7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione

C25H17FN2O4 — CID 10071231

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESO=C1c2c(c(O)c3ncccc3c2OCc2ccccc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C25H17FN2O4/c26-17-10-8-15(9-11-17)13-28-24(30)19-20(25(28)31)23(32-14-16-5-2-1-3-6-16)18-7-4-12-27-21(18)22(19)29/h1-12,29H,13-14H2
InChIKeyPINODTUFZPLKKE-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.45
Rot. Bonds5

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 10071231) has the molecular formula C25H17FN2O4 and a molecular weight of 428.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID10071231
Molecular FormulaC25H17FN2O4
Molecular Weight428.42 g/mol
Exact Mass428.12
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESO=C1c2c(c(O)c3ncccc3c2OCc2ccccc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C25H17FN2O4/c26-17-10-8-15(9-11-17)13-28-24(30)19-20(25(28)31)23(32-14-16-5-2-1-3-6-16)18-7-4-12-27-21(18)22(19)29/h1-12,29H,13-14H2
InChIKeyPINODTUFZPLKKE-UHFFFAOYSA-N
XLogP4.45
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione (CID 10071231) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione is O=C1c2c(c(O)c3ncccc3c2OCc2ccccc2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is PINODTUFZPLKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O4/c26-17-10-8-15(9-11-17)13-28-24(30)19-20(25(28)31)23(32-14-16-5-2-1-3-6-16)18-7-4-12-27-21(18)22(19)29/h1-12,29H,13-14H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 428.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 10071231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).