4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

C18H11BrFNO3 — CID 6324152

IUPAC4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1CC(c2cc(Br)ccc2F)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C18H11BrFNO3/c19-9-5-6-13(20)11(7-9)12-8-15(22)24-17-10-3-1-2-4-14(10)21-18(23)16(12)17/h1-7,12H,8H2,(H,21,23)
InChIKeyDUZRPQFTYLEVIW-UHFFFAOYSA-N
MW388.19 g/mol
LogP3.87
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 6324152) has the molecular formula C18H11BrFNO3 and a molecular weight of 388.19 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID6324152
Molecular FormulaC18H11BrFNO3
Molecular Weight388.19 g/mol
Exact Mass386.99
IUPAC Name4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1CC(c2cc(Br)ccc2F)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C18H11BrFNO3/c19-9-5-6-13(20)11(7-9)12-8-15(22)24-17-10-3-1-2-4-14(10)21-18(23)16(12)17/h1-7,12H,8H2,(H,21,23)
InChIKeyDUZRPQFTYLEVIW-UHFFFAOYSA-N
XLogP3.87
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (CID 6324152) is 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is O=C1CC(c2cc(Br)ccc2F)c2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is DUZRPQFTYLEVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFNO3/c19-9-5-6-13(20)11(7-9)12-8-15(22)24-17-10-3-1-2-4-14(10)21-18(23)16(12)17/h1-7,12H,8H2,(H,21,23).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 388.19 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 6324152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).