3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline

C30H28N2O5S2 — CID 91314211

IUPAC3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline
SMILESCOc1ccccc1C=C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H28N2O5S2/c1-22-12-16-26(17-13-22)38(33,34)31-21-25(20-24-8-4-7-11-30(24)37-3)32(29-10-6-5-9-28(29)31)39(35,36)27-18-14-23(2)15-19-27/h4-20H,21H2,1-3H3
InChIKeyVHQRIXHCUAOCHO-UHFFFAOYSA-N
MW560.70 g/mol
LogP5.76
Rot. Bonds6

About 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline

3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline (PubChem CID 91314211) has the molecular formula C30H28N2O5S2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline
PubChem CID91314211
Molecular FormulaC30H28N2O5S2
Molecular Weight560.70 g/mol
Exact Mass560.14
IUPAC Name3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline
SMILESCOc1ccccc1C=C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H28N2O5S2/c1-22-12-16-26(17-13-22)38(33,34)31-21-25(20-24-8-4-7-11-30(24)37-3)32(29-10-6-5-9-28(29)31)39(35,36)27-18-14-23(2)15-19-27/h4-20H,21H2,1-3H3
InChIKeyVHQRIXHCUAOCHO-UHFFFAOYSA-N
XLogP5.76
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline 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

7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-2H-1-benzazepin-3-one
CID 102097773
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94018437
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
methyl (2R)-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline-2-carboxylate
CID 134935183
2-ethenyl-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 10790460
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol
CID 164665252

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline?
The IUPAC name of 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline (CID 91314211) is 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline?
The canonical SMILES for 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline is COc1ccccc1C=C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline?
The InChIKey is VHQRIXHCUAOCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5S2/c1-22-12-16-26(17-13-22)38(33,34)31-21-25(20-24-8-4-7-11-30(24)37-3)32(29-10-6-5-9-28(29)31)39(35,36)27-18-14-23(2)15-19-27/h4-20H,21H2,1-3H3.
What are the key properties of 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline?
3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline has a molecular weight of 560.70 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylidene]-1,4-bis-(4-methylphenyl)sulfonyl-2H-quinoxaline is sourced from PubChem (CID 91314211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).