6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline

C21H13Cl3N2 — CID 139225987

IUPAC6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline
SMILESClc1cc2nc(Cc3ccccc3Cl)c(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C21H13Cl3N2/c22-15-9-5-4-8-14(15)10-20-21(13-6-2-1-3-7-13)26-19-12-17(24)16(23)11-18(19)25-20/h1-9,11-12H,10H2
InChIKeyJEKCXAHXJVPCFD-UHFFFAOYSA-N
MW399.71 g/mol
LogP6.85
Rot. Bonds3

About 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline

6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline (PubChem CID 139225987) has the molecular formula C21H13Cl3N2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline
PubChem CID139225987
Molecular FormulaC21H13Cl3N2
Molecular Weight399.71 g/mol
Exact Mass398.01
IUPAC Name6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline
SMILESClc1cc2nc(Cc3ccccc3Cl)c(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C21H13Cl3N2/c22-15-9-5-4-8-14(15)10-20-21(13-6-2-1-3-7-13)26-19-12-17(24)16(23)11-18(19)25-20/h1-9,11-12H,10H2
InChIKeyJEKCXAHXJVPCFD-UHFFFAOYSA-N
XLogP6.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline 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

[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
CID 158566394
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one
CID 135364652
3,5-dichloro-2-[(2-chlorophenyl)methyl]pyridine
CID 121010447
5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 61354179
6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
CID 141430614
1-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-N,N-dimethylmethanamine
CID 10851136
6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline
CID 3106562
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
CID 24965659
6-fluoro-2,3-diphenylquinoxaline
CID 3700648

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline?
The IUPAC name of 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline (CID 139225987) is 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline is Clc1cc2nc(Cc3ccccc3Cl)c(-c3ccccc3)nc2cc1Cl.
What is the InChIKey of 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline?
The InChIKey is JEKCXAHXJVPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2/c22-15-9-5-4-8-14(15)10-20-21(13-6-2-1-3-7-13)26-19-12-17(24)16(23)11-18(19)25-20/h1-9,11-12H,10H2.
What are the key properties of 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline?
6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline has a molecular weight of 399.71 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline is sourced from PubChem (CID 139225987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).