(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C26H15FN2O4 — CID 125123899

IUPAC(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESO=C1C[C@@H](c2ccc3nccnc3c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc23)O1
InChIInChI=1S/C26H15FN2O4/c27-19-4-2-1-3-15(19)18-13-32-26-16(25(18)31)6-8-22-24(26)17(12-23(30)33-22)14-5-7-20-21(11-14)29-10-9-28-20/h1-11,13,17H,12H2/t17-/m0/s1
InChIKeyPBLGLUPCAIVVOC-KRWDZBQOSA-N
MW438.41 g/mol
LogP4.98
Rot. Bonds2

About (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 125123899) has the molecular formula C26H15FN2O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID125123899
Molecular FormulaC26H15FN2O4
Molecular Weight438.41 g/mol
Exact Mass438.10
IUPAC Name(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESO=C1C[C@@H](c2ccc3nccnc3c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc23)O1
InChIInChI=1S/C26H15FN2O4/c27-19-4-2-1-3-15(19)18-13-32-26-16(25(18)31)6-8-22-24(26)17(12-23(30)33-22)14-5-7-20-21(11-14)29-10-9-28-20/h1-11,13,17H,12H2/t17-/m0/s1
InChIKeyPBLGLUPCAIVVOC-KRWDZBQOSA-N
XLogP4.98
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 125123899) is (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is O=C1C[C@@H](c2ccc3nccnc3c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc23)O1.
What is the InChIKey of (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is PBLGLUPCAIVVOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H15FN2O4/c27-19-4-2-1-3-15(19)18-13-32-26-16(25(18)31)6-8-22-24(26)17(12-23(30)33-22)14-5-7-20-21(11-14)29-10-9-28-20/h1-11,13,17H,12H2/t17-/m0/s1.
What are the key properties of (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 438.41 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 125123899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).