7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione

C26H25FN2O3 — CID 10388083

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione
SMILESCCCCCC/C=C/c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H25FN2O3/c1-2-3-4-5-6-7-9-19-20-10-8-15-28-23(20)24(30)22-21(19)25(31)29(26(22)32)16-17-11-13-18(27)14-12-17/h7-15,30H,2-6,16H2,1H3/b9-7+
InChIKeyLHOYZUVOGLTCOU-VQHVLOKHSA-N
MW432.50 g/mol
LogP5.86
Rot. Bonds8

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 10388083) has the molecular formula C26H25FN2O3 and a molecular weight of 432.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID10388083
Molecular FormulaC26H25FN2O3
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione
SMILESCCCCCC/C=C/c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H25FN2O3/c1-2-3-4-5-6-7-9-19-20-10-8-15-28-23(20)24(30)22-21(19)25(31)29(26(22)32)16-17-11-13-18(27)14-12-17/h7-15,30H,2-6,16H2,1H3/b9-7+
InChIKeyLHOYZUVOGLTCOU-VQHVLOKHSA-N
XLogP5.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione (CID 10388083) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione is CCCCCC/C=C/c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is LHOYZUVOGLTCOU-VQHVLOKHSA-N. The full InChI is InChI=1S/C26H25FN2O3/c1-2-3-4-5-6-7-9-19-20-10-8-15-28-23(20)24(30)22-21(19)25(31)29(26(22)32)16-17-11-13-18(27)14-12-17/h7-15,30H,2-6,16H2,1H3/b9-7+.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 432.50 g/mol, XLogP of 5.86, 8 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)-oct-1-enyl]pyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 10388083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).