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

C21H15FN2O4 — CID 10474770

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESC=CCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C21H15FN2O4/c1-2-10-28-19-14-4-3-9-23-17(14)18(25)15-16(19)21(27)24(20(15)26)11-12-5-7-13(22)8-6-12/h2-9,25H,1,10-11H2
InChIKeyFDZHQFCVHPBKNN-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.44
Rot. Bonds5

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 10474770) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID10474770
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESC=CCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C21H15FN2O4/c1-2-10-28-19-14-4-3-9-23-17(14)18(25)15-16(19)21(27)24(20(15)26)11-12-5-7-13(22)8-6-12/h2-9,25H,1,10-11H2
InChIKeyFDZHQFCVHPBKNN-UHFFFAOYSA-N
XLogP3.44
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione (CID 10474770) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione is C=CCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is FDZHQFCVHPBKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c1-2-10-28-19-14-4-3-9-23-17(14)18(25)15-16(19)21(27)24(20(15)26)11-12-5-7-13(22)8-6-12/h2-9,25H,1,10-11H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 378.36 g/mol, XLogP of 3.44, 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-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 10474770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).