8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

C19H11BrFNO4 — CID 59241628

IUPAC8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(Cc3ccc(F)cc3)c3cc(Br)ccc3c2o1
InChIInChI=1S/C19H11BrFNO4/c20-11-3-6-13-14(7-11)22(9-10-1-4-12(21)5-2-10)19(25)17-15(23)8-16(24)26-18(13)17/h1-8,23H,9H2
InChIKeyBHPAMNAAFXQVGN-UHFFFAOYSA-N
MW416.20 g/mol
LogP3.76
Rot. Bonds2

About 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59241628) has the molecular formula C19H11BrFNO4 and a molecular weight of 416.20 g/mol. Its IUPAC name is 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID59241628
Molecular FormulaC19H11BrFNO4
Molecular Weight416.20 g/mol
Exact Mass414.99
IUPAC Name8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(Cc3ccc(F)cc3)c3cc(Br)ccc3c2o1
InChIInChI=1S/C19H11BrFNO4/c20-11-3-6-13-14(7-11)22(9-10-1-4-12(21)5-2-10)19(25)17-15(23)8-16(24)26-18(13)17/h1-8,23H,9H2
InChIKeyBHPAMNAAFXQVGN-UHFFFAOYSA-N
XLogP3.76
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 59241628) is 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is O=c1cc(O)c2c(=O)n(Cc3ccc(F)cc3)c3cc(Br)ccc3c2o1.
What is the InChIKey of 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is BHPAMNAAFXQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFNO4/c20-11-3-6-13-14(7-11)22(9-10-1-4-12(21)5-2-10)19(25)17-15(23)8-16(24)26-18(13)17/h1-8,23H,9H2.
What are the key properties of 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 416.20 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59241628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).