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

C18H12FNO3 — CID 6323989

IUPAC4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1CC(c2cccc(F)c2)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C18H12FNO3/c19-11-5-3-4-10(8-11)13-9-15(21)23-17-12-6-1-2-7-14(12)20-18(22)16(13)17/h1-8,13H,9H2,(H,20,22)
InChIKeyLFXSLAPNGXZTTQ-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.11
Rot. Bonds1

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

4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 6323989) has the molecular formula C18H12FNO3 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID6323989
Molecular FormulaC18H12FNO3
Molecular Weight309.30 g/mol
Exact Mass309.08
IUPAC Name4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1CC(c2cccc(F)c2)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C18H12FNO3/c19-11-5-3-4-10(8-11)13-9-15(21)23-17-12-6-1-2-7-14(12)20-18(22)16(13)17/h1-8,13H,9H2,(H,20,22)
InChIKeyLFXSLAPNGXZTTQ-UHFFFAOYSA-N
XLogP3.11
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (CID 6323989) is 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is O=C1CC(c2cccc(F)c2)c2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is LFXSLAPNGXZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3/c19-11-5-3-4-10(8-11)13-9-15(21)23-17-12-6-1-2-7-14(12)20-18(22)16(13)17/h1-8,13H,9H2,(H,20,22).
What are the key properties of 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 309.30 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 6323989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).