(2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

C16H12N2O3 — CID 98484640

IUPAC(2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3ccccc3N2)O[C@H]1c1ccccc1O
InChIInChI=1S/C16H12N2O3/c19-12-8-4-1-5-9(12)15-14(20)13-16(21-15)18-11-7-3-2-6-10(11)17-13/h1-8,15,17-19H/t15-/m0/s1
InChIKeySZBSSZITMHUOHY-HNNXBMFYSA-N
MW280.28 g/mol
LogP2.74
Rot. Bonds1

About (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

(2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 98484640) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID98484640
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3ccccc3N2)O[C@H]1c1ccccc1O
InChIInChI=1S/C16H12N2O3/c19-12-8-4-1-5-9(12)15-14(20)13-16(21-15)18-11-7-3-2-6-10(11)17-13/h1-8,15,17-19H/t15-/m0/s1
InChIKeySZBSSZITMHUOHY-HNNXBMFYSA-N
XLogP2.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 98484640) is (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is O=C1C2=C(Nc3ccccc3N2)O[C@H]1c1ccccc1O.
What is the InChIKey of (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is SZBSSZITMHUOHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-12-8-4-1-5-9(12)15-14(20)13-16(21-15)18-11-7-3-2-6-10(11)17-13/h1-8,15,17-19H/t15-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
(2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 280.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 98484640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).