9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione

C17H14FNO3 — CID 4859766

IUPAC9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(COC1=O)N2
InChIInChI=1S/C17H14FNO3/c18-10-6-4-9(5-7-10)14-15-11(2-1-3-13(15)20)19-12-8-22-17(21)16(12)14/h4-7,14,19H,1-3,8H2
InChIKeyYIENUBALWISPDU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.33
Rot. Bonds1

About 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione

9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione (PubChem CID 4859766) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione
PubChem CID4859766
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(COC1=O)N2
InChIInChI=1S/C17H14FNO3/c18-10-6-4-9(5-7-10)14-15-11(2-1-3-13(15)20)19-12-8-22-17(21)16(12)14/h4-7,14,19H,1-3,8H2
InChIKeyYIENUBALWISPDU-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione with MolForge

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Related Compounds

9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 23248494
(9S)-9-(3-bromo-4-methylphenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione
CID 10109924
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
9-[4-[(4-fluorophenyl)methoxy]phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 5104099
(8R)-8-(4-fluoro-3-iodophenyl)-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
CID 10296094
(5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 7161091
8-(4-fluoro-3-iodophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 10223444
8-[3-bromo-4-(trifluoromethyl)phenyl]-5-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 70204957
8-(3,4-dimethylphenyl)-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione;ethane
CID 143279206
2-amino-5-(4-fluorophenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135930675
8-(3-bromo-4-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 10271270
8-(4-bromo-3-methylphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 10269988

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione?
The IUPAC name of 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione (CID 4859766) is 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione.
What is the SMILES notation for 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione?
The canonical SMILES for 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione is O=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(COC1=O)N2.
What is the InChIKey of 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione?
The InChIKey is YIENUBALWISPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-10-6-4-9(5-7-10)14-15-11(2-1-3-13(15)20)19-12-8-22-17(21)16(12)14/h4-7,14,19H,1-3,8H2.
What are the key properties of 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione?
9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione has a molecular weight of 299.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione is sourced from PubChem (CID 4859766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).