1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline

C16H16ClFN2 — CID 63778948

IUPAC1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(c2ccc(F)cc2CCl)c2ccccc21
InChIInChI=1S/C16H16ClFN2/c1-19-8-9-20(16-5-3-2-4-15(16)19)14-7-6-13(18)10-12(14)11-17/h2-7,10H,8-9,11H2,1H3
InChIKeyMDRHQBCXCRGULM-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.15
Rot. Bonds2

About 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline

1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline (PubChem CID 63778948) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
PubChem CID63778948
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(c2ccc(F)cc2CCl)c2ccccc21
InChIInChI=1S/C16H16ClFN2/c1-19-8-9-20(16-5-3-2-4-15(16)19)14-7-6-13(18)10-12(14)11-17/h2-7,10H,8-9,11H2,1H3
InChIKeyMDRHQBCXCRGULM-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
CID 63778940
[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
CID 63779100
1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
CID 107083737
5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63776757
2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 115507010
1-[3-chloro-2-(chloromethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
CID 63779312
5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 64769987
1-[2-(chloromethyl)-4-fluorophenyl]-4-pyridin-2-ylpiperazine
CID 43313513
3-bromo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 55236725
3-iodo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 66092951
[2-(2,3-dihydroindol-1-yl)-5-fluorophenyl]methanamine
CID 43313804
4-[2-(chloromethyl)-4-fluorophenyl]-2-ethyl-1-methylpiperazine
CID 63610601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline (CID 63778948) is 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline is CN1CCN(c2ccc(F)cc2CCl)c2ccccc21.
What is the InChIKey of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is MDRHQBCXCRGULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-19-8-9-20(16-5-3-2-4-15(16)19)14-7-6-13(18)10-12(14)11-17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline?
1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 290.77 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 63778948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).