4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline

C16H18N2 — CID 75481796

IUPAC4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H18N2/c1-13-11-17-15-9-5-6-10-16(15)18(13)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKeyXWLZXBWZCSXKFQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.51
Rot. Bonds2

About 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline

4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 75481796) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID75481796
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H18N2/c1-13-11-17-15-9-5-6-10-16(15)18(13)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKeyXWLZXBWZCSXKFQ-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 105404987
3-methyl-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318365
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318440
4-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318441
4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318552
4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 114851362
4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318390
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 115318590
4-(cyclopentylmethyl)-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318348
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318338
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318403

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline (CID 75481796) is 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is XWLZXBWZCSXKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-13-11-17-15-9-5-6-10-16(15)18(13)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline?
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 238.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 75481796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).