4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

C16H16ClFN2 — CID 114851362

IUPAC4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClFN2/c1-11-9-19-15-4-2-3-5-16(15)20(11)10-12-6-7-13(17)8-14(12)18/h2-8,11,19H,9-10H2,1H3
InChIKeyFZPOJGKALALQKJ-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.30
Rot. Bonds2

About 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 114851362) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID114851362
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClFN2/c1-11-9-19-15-4-2-3-5-16(15)20(11)10-12-6-7-13(17)8-14(12)18/h2-8,11,19H,9-10H2,1H3
InChIKeyFZPOJGKALALQKJ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318338
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318440
4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 105404987
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
4-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318441
4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318390
3-methyl-4-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318541
4-[(2-bromo-5-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318561
4-[(E)-3-chloroprop-2-enyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318552
3-methyl-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318365
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318403
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 115318590

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 114851362) is 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1Cc1ccc(Cl)cc1F.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is FZPOJGKALALQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-11-9-19-15-4-2-3-5-16(15)20(11)10-12-6-7-13(17)8-14(12)18/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 290.77 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 114851362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).