4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol

C22H20N4O2 — CID 1378195

IUPAC4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C
InChIInChI=1S/C22H20N4O2/c1-13-11-15(27)7-9-17(13)23-21-22(24-18-10-8-16(28)12-14(18)2)26-20-6-4-3-5-19(20)25-21/h3-12,27-28H,1-2H3,(H,23,25)(H,24,26)
InChIKeyFFAZSEDZKZUJFQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.15
Rot. Bonds4

About 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol

4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol (PubChem CID 1378195) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol
PubChem CID1378195
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C
InChIInChI=1S/C22H20N4O2/c1-13-11-15(27)7-9-17(13)23-21-22(24-18-10-8-16(28)12-14(18)2)26-20-6-4-3-5-19(20)25-21/h3-12,27-28H,1-2H3,(H,23,25)(H,24,26)
InChIKeyFFAZSEDZKZUJFQ-UHFFFAOYSA-N
XLogP5.15
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol (CID 1378195) is 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol is Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C.
What is the InChIKey of 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol?
The InChIKey is FFAZSEDZKZUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-11-15(27)7-9-17(13)23-21-22(24-18-10-8-16(28)12-14(18)2)26-20-6-4-3-5-19(20)25-21/h3-12,27-28H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol?
4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol has a molecular weight of 372.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxy-2-methylanilino)quinoxalin-2-yl]amino]-3-methylphenol is sourced from PubChem (CID 1378195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).