4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol

C22H18N2O4 — CID 1361650

IUPAC4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccccc3nc2-c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H18N2O4/c1-27-19-11-13(7-9-17(19)25)21-22(14-8-10-18(26)20(12-14)28-2)24-16-6-4-3-5-15(16)23-21/h3-12,25-26H,1-2H3
InChIKeyKLOXDPUMYDBWHD-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.39
Rot. Bonds4

About 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol

4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol (PubChem CID 1361650) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol
PubChem CID1361650
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccccc3nc2-c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H18N2O4/c1-27-19-11-13(7-9-17(19)25)21-22(14-8-10-18(26)20(12-14)28-2)24-16-6-4-3-5-15(16)23-21/h3-12,25-26H,1-2H3
InChIKeyKLOXDPUMYDBWHD-UHFFFAOYSA-N
XLogP4.39
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Moxaverine
CID 70882
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
Quinoxaline, 2,3-bis(2-methoxyphenyl)-
CID 774402
Juzirine
CID 3085285
Palaudine
CID 167736
Dimoxyline
CID 21878
Cms-121
CID 135741221
2-[2-(3,4-Dimethoxyphenyl)vinyl]quinoxaline
CID 5876917
2-(3,4-Dimethoxystyryl)quinoline
CID 5933012
Galipine
CID 68235
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol (CID 1361650) is 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3ccccc3nc2-c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol?
The InChIKey is KLOXDPUMYDBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-19-11-13(7-9-17(19)25)21-22(14-8-10-18(26)20(12-14)28-2)24-16-6-4-3-5-15(16)23-21/h3-12,25-26H,1-2H3.
What are the key properties of 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol?
4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol has a molecular weight of 374.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3-methoxyphenyl)quinoxalin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 1361650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).