6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline

C21H15ClN2O — CID 118726434

IUPAC6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2O/c1-25-17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)24-19-13-16(22)9-12-18(19)23-21/h2-13H,1H3
InChIKeyLNLJZVIRHPCYLS-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.63
Rot. Bonds3

About 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline

6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline (PubChem CID 118726434) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
PubChem CID118726434
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2O/c1-25-17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)24-19-13-16(22)9-12-18(19)23-21/h2-13H,1H3
InChIKeyLNLJZVIRHPCYLS-UHFFFAOYSA-N
XLogP5.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(4-methoxyphenyl)-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

6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
CID 136805911
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
CID 145053980
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
(6-chloro-3-phenylquinoxalin-2-yl)hydrazine
CID 141464003
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline (CID 118726434) is 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline is COc1ccc(-c2nc3ccc(Cl)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline?
The InChIKey is LNLJZVIRHPCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c1-25-17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)24-19-13-16(22)9-12-18(19)23-21/h2-13H,1H3.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline?
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline has a molecular weight of 346.82 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline is sourced from PubChem (CID 118726434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).