2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline

C20H22N2 — CID 140872725

IUPAC2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
SMILESCc1cc(C)cc(-c2nc3ccccc3nc2CC(C)C)c1
InChIInChI=1S/C20H22N2/c1-13(2)9-19-20(16-11-14(3)10-15(4)12-16)22-18-8-6-5-7-17(18)21-19/h5-8,10-13H,9H2,1-4H3
InChIKeyZWPYMQLIBXMFQS-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.11
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline

2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline (PubChem CID 140872725) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
PubChem CID140872725
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
SMILESCc1cc(C)cc(-c2nc3ccccc3nc2CC(C)C)c1
InChIInChI=1S/C20H22N2/c1-13(2)9-19-20(16-11-14(3)10-15(4)12-16)22-18-8-6-5-7-17(18)21-19/h5-8,10-13H,9H2,1-4H3
InChIKeyZWPYMQLIBXMFQS-UHFFFAOYSA-N
XLogP5.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
CID 141430614
2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
CID 175477212
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 163458233
6-(3,5-dimethylphenyl)-10-(2-methylpropyl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153428523
2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
CID 155627713
bromo-[4-[[3-(4-methylphenyl)quinoxalin-2-yl]methyl]phenyl]-diphenylphosphanium
CID 133064299
2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
CID 59348536
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
6-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 140751754
7-methylindeno[1,2-b]quinoxalin-11-one
CID 2799070

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline?
The IUPAC name of 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline (CID 140872725) is 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline is Cc1cc(C)cc(-c2nc3ccccc3nc2CC(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline?
The InChIKey is ZWPYMQLIBXMFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-13(2)9-19-20(16-11-14(3)10-15(4)12-16)22-18-8-6-5-7-17(18)21-19/h5-8,10-13H,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline?
2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline has a molecular weight of 290.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline is sourced from PubChem (CID 140872725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).