10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione

C18H15BrFNO3 — CID 11188503

IUPAC10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCOC1=O)N2
InChIInChI=1S/C18H15BrFNO3/c19-10-8-9(4-5-11(10)20)15-16-12(2-1-3-14(16)22)21-13-6-7-24-18(23)17(13)15/h4-5,8,15,21H,1-3,6-7H2
InChIKeyMNBXZLFFMNRTAI-UHFFFAOYSA-N
MW392.22 g/mol
LogP3.48
Rot. Bonds1

About 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione

10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione (PubChem CID 11188503) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione.

Molecular Properties

Compound Name10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione
PubChem CID11188503
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCOC1=O)N2
InChIInChI=1S/C18H15BrFNO3/c19-10-8-9(4-5-11(10)20)15-16-12(2-1-3-14(16)22)21-13-6-7-24-18(23)17(13)15/h4-5,8,15,21H,1-3,6-7H2
InChIKeyMNBXZLFFMNRTAI-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione?
The IUPAC name of 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione (CID 11188503) is 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione.
What is the SMILES notation for 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione?
The canonical SMILES for 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione is O=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCOC1=O)N2.
What is the InChIKey of 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione?
The InChIKey is MNBXZLFFMNRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO3/c19-10-8-9(4-5-11(10)20)15-16-12(2-1-3-14(16)22)21-13-6-7-24-18(23)17(13)15/h4-5,8,15,21H,1-3,6-7H2.
What are the key properties of 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione?
10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione has a molecular weight of 392.22 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione is sourced from PubChem (CID 11188503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).