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

C24H16FN3O4 — CID 10342580

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
SMILESO=C1c2c(c(O)c3ncccc3c2OCc2ccccn2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H16FN3O4/c25-15-8-6-14(7-9-15)12-28-23(30)18-19(24(28)31)22(32-13-16-4-1-2-10-26-16)17-5-3-11-27-20(17)21(18)29/h1-11,29H,12-13H2
InChIKeyJEXAXKCIKBYQIH-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.85
Rot. Bonds5

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione (PubChem CID 10342580) has the molecular formula C24H16FN3O4 and a molecular weight of 429.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
PubChem CID10342580
Molecular FormulaC24H16FN3O4
Molecular Weight429.41 g/mol
Exact Mass429.11
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
SMILESO=C1c2c(c(O)c3ncccc3c2OCc2ccccn2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H16FN3O4/c25-15-8-6-14(7-9-15)12-28-23(30)18-19(24(28)31)22(32-13-16-4-1-2-10-26-16)17-5-3-11-27-20(17)21(18)29/h1-11,29H,12-13H2
InChIKeyJEXAXKCIKBYQIH-UHFFFAOYSA-N
XLogP3.85
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione (CID 10342580) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione is O=C1c2c(c(O)c3ncccc3c2OCc2ccccn2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
The InChIKey is JEXAXKCIKBYQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O4/c25-15-8-6-14(7-9-15)12-28-23(30)18-19(24(28)31)22(32-13-16-4-1-2-10-26-16)17-5-3-11-27-20(17)21(18)29/h1-11,29H,12-13H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione has a molecular weight of 429.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione is sourced from PubChem (CID 10342580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).