6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline

C16H16F2N2 — CID 82156719

IUPAC6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(CN2CCNc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C16H16F2N2/c1-11-2-4-12(5-3-11)10-20-7-6-19-15-8-13(17)14(18)9-16(15)20/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyQNQUPUKZLYWGCP-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.71
Rot. Bonds2

About 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline

6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 82156719) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
PubChem CID82156719
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(CN2CCNc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C16H16F2N2/c1-11-2-4-12(5-3-11)10-20-7-6-19-15-8-13(17)14(18)9-16(15)20/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyQNQUPUKZLYWGCP-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419
4-ethyl-6,7-dimethyl-2,3-dihydro-1H-quinoxaline
CID 82156538
5-[(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 107883138
1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117006991
1-[(4-methylphenyl)methyl]imidazolidine
CID 118553690
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 82057953
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol
CID 117235986

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline (CID 82156719) is 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline is Cc1ccc(CN2CCNc3cc(F)c(F)cc32)cc1.
What is the InChIKey of 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is QNQUPUKZLYWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c1-11-2-4-12(5-3-11)10-20-7-6-19-15-8-13(17)14(18)9-16(15)20/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 274.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 82156719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).