7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione

C26H17FN2O3 — CID 10002452

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione
SMILESO=C1c2c(c(O)c3ncccc3c2/C=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C26H17FN2O3/c27-18-11-8-17(9-12-18)15-29-25(31)21-19(13-10-16-5-2-1-3-6-16)20-7-4-14-28-23(20)24(30)22(21)26(29)32/h1-14,30H,15H2/b13-10+
InChIKeyPTCRMNJABQVFOR-JLHYYAGUSA-N
MW424.43 g/mol
LogP5.05
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 10002452) has the molecular formula C26H17FN2O3 and a molecular weight of 424.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID10002452
Molecular FormulaC26H17FN2O3
Molecular Weight424.43 g/mol
Exact Mass424.12
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione
SMILESO=C1c2c(c(O)c3ncccc3c2/C=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C26H17FN2O3/c27-18-11-8-17(9-12-18)15-29-25(31)21-19(13-10-16-5-2-1-3-6-16)20-7-4-14-28-23(20)24(30)22(21)26(29)32/h1-14,30H,15H2/b13-10+
InChIKeyPTCRMNJABQVFOR-JLHYYAGUSA-N
XLogP5.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione (CID 10002452) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione is O=C1c2c(c(O)c3ncccc3c2/C=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is PTCRMNJABQVFOR-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H17FN2O3/c27-18-11-8-17(9-12-18)15-29-25(31)21-19(13-10-16-5-2-1-3-6-16)20-7-4-14-28-23(20)24(30)22(21)26(29)32/h1-14,30H,15H2/b13-10+.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 424.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]pyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 10002452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).