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

C26H19FN2O2 — CID 10070127

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(/C=C/c3ccccc3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C26H19FN2O2/c27-19-11-8-18(9-12-19)15-29-16-22-20(13-10-17-5-2-1-3-6-17)21-7-4-14-28-24(21)25(30)23(22)26(29)31/h1-14,30H,15-16H2/b13-10+
InChIKeyRZXWUWNFDGMADV-JLHYYAGUSA-N
MW410.45 g/mol
LogP5.41
Rot. Bonds4

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10070127) has the molecular formula C26H19FN2O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10070127
Molecular FormulaC26H19FN2O2
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(/C=C/c3ccccc3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C26H19FN2O2/c27-19-11-8-18(9-12-19)15-29-16-22-20(13-10-17-5-2-1-3-6-17)21-7-4-14-28-24(21)25(30)23(22)26(29)31/h1-14,30H,15-16H2/b13-10+
InChIKeyRZXWUWNFDGMADV-JLHYYAGUSA-N
XLogP5.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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]-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10070127) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(/C=C/c3ccccc3)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is RZXWUWNFDGMADV-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H19FN2O2/c27-19-11-8-18(9-12-19)15-29-16-22-20(13-10-17-5-2-1-3-6-17)21-7-4-14-28-24(21)25(30)23(22)26(29)31/h1-14,30H,15-16H2/b13-10+.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 410.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-[(E)-2-phenylethenyl]-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10070127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).