1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

C19H19F3N2O2 — CID 167849670

IUPAC1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCc1ccc2c(c1)N(C)CCN2C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-13-3-8-16-17(11-13)23(2)9-10-24(16)18(25)12-14-4-6-15(7-5-14)26-19(20,21)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFLEGJKYSOGCXEZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.92
Rot. Bonds3

About 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 167849670) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID167849670
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCc1ccc2c(c1)N(C)CCN2C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-13-3-8-16-17(11-13)23(2)9-10-24(16)18(25)12-14-4-6-15(7-5-14)26-19(20,21)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFLEGJKYSOGCXEZ-UHFFFAOYSA-N
XLogP3.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84627523
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
1-[4-(3-methylbutyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55746191
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120572097
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55739423
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
tert-butyl-[(3S)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 67443015
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 115736451
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 167849670) is 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is Cc1ccc2c(c1)N(C)CCN2C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is FLEGJKYSOGCXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-3-8-16-17(11-13)23(2)9-10-24(16)18(25)12-14-4-6-15(7-5-14)26-19(20,21)22/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 364.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 167849670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).