4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

C18H22N2 — CID 115318390

IUPAC4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(C)c(CN2c3ccccc3NCC2C)c1
InChIInChI=1S/C18H22N2/c1-13-8-9-14(2)16(10-13)12-20-15(3)11-19-17-6-4-5-7-18(17)20/h4-10,15,19H,11-12H2,1-3H3
InChIKeyIKMIAIBNIDZUEQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.12
Rot. Bonds2

About 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318390) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318390
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(C)c(CN2c3ccccc3NCC2C)c1
InChIInChI=1S/C18H22N2/c1-13-8-9-14(2)16(10-13)12-20-15(3)11-19-17-6-4-5-7-18(17)20/h4-10,15,19H,11-12H2,1-3H3
InChIKeyIKMIAIBNIDZUEQ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-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

5-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896312
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318440
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 105404987
3-methyl-4-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318541
4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318338
4-[(2-bromo-5-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318561
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 115318590
4-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318441
4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318348
4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318552
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318390) is 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is Cc1ccc(C)c(CN2c3ccccc3NCC2C)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is IKMIAIBNIDZUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-8-9-14(2)16(10-13)12-20-15(3)11-19-17-6-4-5-7-18(17)20/h4-10,15,19H,11-12H2,1-3H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 266.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).