2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol

C27H19ClN4O — CID 136501078

IUPAC2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol
SMILESNc1c(/N=C/c2cc(Cl)ccc2O)ccc2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H19ClN4O/c28-20-11-14-23(33)19(15-20)16-30-21-12-13-22-27(24(21)29)32-26(18-9-5-2-6-10-18)25(31-22)17-7-3-1-4-8-17/h1-16,33H,29H2/b30-16+
InChIKeyZWXCMYYDUREGGM-OKCVXOCRSA-N
MW450.93 g/mol
LogP6.66
Rot. Bonds4

About 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol

2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol (PubChem CID 136501078) has the molecular formula C27H19ClN4O and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol
PubChem CID136501078
Molecular FormulaC27H19ClN4O
Molecular Weight450.93 g/mol
Exact Mass450.12
IUPAC Name2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol
SMILESNc1c(/N=C/c2cc(Cl)ccc2O)ccc2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H19ClN4O/c28-20-11-14-23(33)19(15-20)16-30-21-12-13-22-27(24(21)29)32-26(18-9-5-2-6-10-18)25(31-22)17-7-3-1-4-8-17/h1-16,33H,29H2/b30-16+
InChIKeyZWXCMYYDUREGGM-OKCVXOCRSA-N
XLogP6.66
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol 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

CID 270355
CID 270355
CID 3490788
CID 3490788
CID 403643
CID 403643
CID 136649885
CID 136649885
CID 136732180
CID 136732180
CID 177615391
CID 177615391
CID 135478711
CID 135478711
CID 135955016
CID 135955016
CID 136189462
CID 136189462
CID 136189598
CID 136189598
CID 136330495
CID 136330495
CID 136330496
CID 136330496

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol?
The IUPAC name of 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol (CID 136501078) is 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol?
The canonical SMILES for 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol is Nc1c(/N=C/c2cc(Cl)ccc2O)ccc2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol?
The InChIKey is ZWXCMYYDUREGGM-OKCVXOCRSA-N. The full InChI is InChI=1S/C27H19ClN4O/c28-20-11-14-23(33)19(15-20)16-30-21-12-13-22-27(24(21)29)32-26(18-9-5-2-6-10-18)25(31-22)17-7-3-1-4-8-17/h1-16,33H,29H2/b30-16+.
What are the key properties of 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol?
2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol has a molecular weight of 450.93 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-chlorophenol is sourced from PubChem (CID 136501078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).