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

C20H15FN2O3 — CID 10315851

IUPAC5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESCCc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C20H15FN2O3/c1-2-13-14-4-3-9-22-17(14)18(24)16-15(13)19(25)23(20(16)26)10-11-5-7-12(21)8-6-11/h3-9,24H,2,10H2,1H3
InChIKeyDHCAQXAVAYRTQY-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.44
Rot. Bonds3

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

5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 10315851) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID10315851
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione
SMILESCCc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C20H15FN2O3/c1-2-13-14-4-3-9-22-17(14)18(24)16-15(13)19(25)23(20(16)26)10-11-5-7-12(21)8-6-11/h3-9,24H,2,10H2,1H3
InChIKeyDHCAQXAVAYRTQY-UHFFFAOYSA-N
XLogP3.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione (CID 10315851) is 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione is CCc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is DHCAQXAVAYRTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-2-13-14-4-3-9-22-17(14)18(24)16-15(13)19(25)23(20(16)26)10-11-5-7-12(21)8-6-11/h3-9,24H,2,10H2,1H3.
What are the key properties of 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione?
5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 350.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 10315851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).