4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol

C15H14N4O — CID 62359318

IUPAC4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol
SMILESNc1ccc(O)c(CNc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H14N4O/c16-11-5-6-14(20)10(7-11)8-18-15-9-17-12-3-1-2-4-13(12)19-15/h1-7,9,20H,8,16H2,(H,18,19)
InChIKeyHZIANANPVSLMTE-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol

4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol (PubChem CID 62359318) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol
PubChem CID62359318
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol
SMILESNc1ccc(O)c(CNc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H14N4O/c16-11-5-6-14(20)10(7-11)8-18-15-9-17-12-3-1-2-4-13(12)19-15/h1-7,9,20H,8,16H2,(H,18,19)
InChIKeyHZIANANPVSLMTE-UHFFFAOYSA-N
XLogP2.53
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
4-amino-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol
CID 64585858
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
CID 81088915
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
CID 23437250
quinoxalin-2-ylhydrazine;hydrochloride
CID 18995251
2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide
CID 60874920
N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol?
The IUPAC name of 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol (CID 62359318) is 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol?
The canonical SMILES for 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol is Nc1ccc(O)c(CNc2cnc3ccccc3n2)c1.
What is the InChIKey of 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol?
The InChIKey is HZIANANPVSLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-11-5-6-14(20)10(7-11)8-18-15-9-17-12-3-1-2-4-13(12)19-15/h1-7,9,20H,8,16H2,(H,18,19).
What are the key properties of 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol?
4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol has a molecular weight of 266.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(quinoxalin-2-ylamino)methyl]phenol is sourced from PubChem (CID 62359318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).