4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol

C17H17N3O — CID 60944016

IUPAC4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)Nc2ccc3nccnc3c2)c1
InChIInChI=1S/C17H17N3O/c1-11-3-6-17(21)14(9-11)12(2)20-13-4-5-15-16(10-13)19-8-7-18-15/h3-10,12,20-21H,1-2H3
InChIKeyWPERTLBLSXWXQO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.82
Rot. Bonds3

About 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol

4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol (PubChem CID 60944016) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
PubChem CID60944016
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)Nc2ccc3nccnc3c2)c1
InChIInChI=1S/C17H17N3O/c1-11-3-6-17(21)14(9-11)12(2)20-13-4-5-15-16(10-13)19-8-7-18-15/h3-10,12,20-21H,1-2H3
InChIKeyWPERTLBLSXWXQO-UHFFFAOYSA-N
XLogP3.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
2-[1-(1,3-benzodioxol-5-ylamino)ethyl]-4-methylphenol
CID 43504704
N-[1-(2,5-dimethylphenyl)ethyl]quinolin-6-amine
CID 62636644
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol (CID 60944016) is 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol is Cc1ccc(O)c(C(C)Nc2ccc3nccnc3c2)c1.
What is the InChIKey of 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol?
The InChIKey is WPERTLBLSXWXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-3-6-17(21)14(9-11)12(2)20-13-4-5-15-16(10-13)19-8-7-18-15/h3-10,12,20-21H,1-2H3.
What are the key properties of 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol?
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol has a molecular weight of 279.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol is sourced from PubChem (CID 60944016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).