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

C23H15F2N3O2 — CID 10431261

IUPAC7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(-c3cccnc3F)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C23H15F2N3O2/c24-14-7-5-13(6-8-14)11-28-12-17-18(16-4-2-10-27-22(16)25)15-3-1-9-26-20(15)21(29)19(17)23(28)30/h1-10,29H,11-12H2
InChIKeyCXEDAXOASGQHFN-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.44
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10431261) has the molecular formula C23H15F2N3O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10431261
Molecular FormulaC23H15F2N3O2
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC Name7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(-c3cccnc3F)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C23H15F2N3O2/c24-14-7-5-13(6-8-14)11-28-12-17-18(16-4-2-10-27-22(16)25)15-3-1-9-26-20(15)21(29)19(17)23(28)30/h1-10,29H,11-12H2
InChIKeyCXEDAXOASGQHFN-UHFFFAOYSA-N
XLogP4.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10431261) is 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(-c3cccnc3F)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is CXEDAXOASGQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O2/c24-14-7-5-13(6-8-14)11-28-12-17-18(16-4-2-10-27-22(16)25)15-3-1-9-26-20(15)21(29)19(17)23(28)30/h1-10,29H,11-12H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 403.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-5-(2-fluoro-3-pyridinyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10431261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).