4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol

C20H16N4O2 — CID 794181

IUPAC4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N4O2/c25-15-9-5-13(6-10-15)21-19-20(22-14-7-11-16(26)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12,25-26H,(H,21,23)(H,22,24)
InChIKeyNUFBJECQMAPTMN-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.53
Rot. Bonds4

About 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol

4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol (PubChem CID 794181) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol
PubChem CID794181
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N4O2/c25-15-9-5-13(6-10-15)21-19-20(22-14-7-11-16(26)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12,25-26H,(H,21,23)(H,22,24)
InChIKeyNUFBJECQMAPTMN-UHFFFAOYSA-N
XLogP4.53
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
N-[4-({3-[(4-hydroxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]acetamide
CID 1896393
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol
CID 7998239
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 820005
4-[[2-[(4-Hydroxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]phenol
CID 353592
N-(4-methoxyphenyl)-3-methyl-2-quinoxalinamine
CID 869658
3-(4-Hydroxyanilino)quinoxaline-2-carboxylic acid
CID 145958016
4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol
CID 155563602
4-({3-[(4-Hydroxyphenyl)amino]-6-nitroquinoxalin-2-yl}amino)phenol
CID 3777682
2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 118656805
N~2~,N~3~-bis(4-ethoxyphenyl)-2,3-quinoxalinediamine
CID 1023924
(4E)-3-methyl-4-[[3-[(2-methyl-4-oxidanyl-phenyl)amino]-1,4-dihydroquinoxalin-2-yl]imino]cyclohexa-2,5-dien-1-one
CID 1378195

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol?
The IUPAC name of 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol (CID 794181) is 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol?
The canonical SMILES for 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol is Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol?
The InChIKey is NUFBJECQMAPTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-15-9-5-13(6-10-15)21-19-20(22-14-7-11-16(26)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12,25-26H,(H,21,23)(H,22,24).
What are the key properties of 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol?
4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol has a molecular weight of 344.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxyanilino)quinoxalin-2-yl]amino]phenol is sourced from PubChem (CID 794181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).