2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline

C29H20N4 — CID 161236708

IUPAC2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
SMILESc1cc(Cc2cccc(-c3cnc4ccccc4n3)c2)cc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C29H20N4/c1-3-13-26-24(11-1)30-18-28(32-26)22-9-5-7-20(16-22)15-21-8-6-10-23(17-21)29-19-31-25-12-2-4-14-27(25)33-29/h1-14,16-19H,15H2
InChIKeyDTUHRCGVYVYPEU-UHFFFAOYSA-N
MW424.51 g/mol
LogP6.50
Rot. Bonds4

About 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline

2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline (PubChem CID 161236708) has the molecular formula C29H20N4 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline.

Molecular Properties

Compound Name2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
PubChem CID161236708
Molecular FormulaC29H20N4
Molecular Weight424.51 g/mol
Exact Mass424.17
IUPAC Name2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
SMILESc1cc(Cc2cccc(-c3cnc4ccccc4n3)c2)cc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C29H20N4/c1-3-13-26-24(11-1)30-18-28(32-26)22-9-5-7-20(16-22)15-21-8-6-10-23(17-21)29-19-31-25-12-2-4-14-27(25)33-29/h1-14,16-19H,15H2
InChIKeyDTUHRCGVYVYPEU-UHFFFAOYSA-N
XLogP6.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]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

(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
CID 138808875
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
CID 134593476
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline
CID 28666339
CID 88913467
CID 88913467
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-quinazolin-6-ylquinoxaline
CID 135299830
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline?
The IUPAC name of 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline (CID 161236708) is 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline.
What is the SMILES notation for 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline?
The canonical SMILES for 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline is c1cc(Cc2cccc(-c3cnc4ccccc4n3)c2)cc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline?
The InChIKey is DTUHRCGVYVYPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4/c1-3-13-26-24(11-1)30-18-28(32-26)22-9-5-7-20(16-22)15-21-8-6-10-23(17-21)29-19-31-25-12-2-4-14-27(25)33-29/h1-14,16-19H,15H2.
What are the key properties of 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline?
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline has a molecular weight of 424.51 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline is sourced from PubChem (CID 161236708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).