2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide

C20H17N5O2 — CID 21157381

IUPAC2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide
SMILES[O-][NH+](O)c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C20H17N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13,25-26H,(H,21,23)(H,22,24)
InChIKeyZYPGYPAGFHMRJW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.52
Rot. Bonds5

About 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide

2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide (PubChem CID 21157381) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide.

Molecular Properties

Compound Name2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide
PubChem CID21157381
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide
SMILES[O-][NH+](O)c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C20H17N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13,25-26H,(H,21,23)(H,22,24)
InChIKeyZYPGYPAGFHMRJW-UHFFFAOYSA-N
XLogP3.52
TPSA97.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-anilinophenyl)-3-N-phenylsulfanylquinoxaline-2,3-diamine
CID 143442867
2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine
CID 177346625
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
CID 177346628
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
CID 1111682
4-[[3-(4-hydroxyanilino)-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenol
CID 136938461
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
3-[[3-(phenylsulfanylamino)quinoxalin-2-yl]amino]phenol
CID 143443019
9-[4-[3-(diaminomethylideneamino)propylsulfonylamino]anilino]-N-hydroxyacridin-3-amine oxide
CID 21157256
(Z)-3-[3-[[3-[3-[(E)-2-carboxyethenyl]anilino]-6-nitroquinoxalin-2-yl]amino]phenyl]prop-2-enoic acid
CID 99886164
N-phenyl-3-prop-2-enylquinolin-2-amine
CID 132549731
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550

Frequently Asked Questions

What is the IUPAC name of 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide?
The IUPAC name of 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide (CID 21157381) is 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide.
What is the SMILES notation for 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide?
The canonical SMILES for 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide is [O-][NH+](O)c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1.
What is the InChIKey of 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide?
The InChIKey is ZYPGYPAGFHMRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13,25-26H,(H,21,23)(H,22,24).
What are the key properties of 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide?
2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide has a molecular weight of 359.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide is sourced from PubChem (CID 21157381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).