[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone

C23H16F4N2O2 — CID 166219525

IUPAC[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2F)c2ccccc2N1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H16F4N2O2/c1-13-12-28(22(30)16-8-6-14(24)10-18(16)26)20-4-2-3-5-21(20)29(13)23(31)17-9-7-15(25)11-19(17)27/h2-11,13H,12H2,1H3
InChIKeyJTNSPFCOTUOZLS-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.94
Rot. Bonds2

About [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone

[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 166219525) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID166219525
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2F)c2ccccc2N1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H16F4N2O2/c1-13-12-28(22(30)16-8-6-14(24)10-18(16)26)20-4-2-3-5-21(20)29(13)23(31)17-9-7-15(25)11-19(17)27/h2-11,13H,12H2,1H3
InChIKeyJTNSPFCOTUOZLS-UHFFFAOYSA-N
XLogP4.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone with MolForge

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Related Compounds

(4R)-5-(2,4-difluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6931585
[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
CID 95785410
(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
CID 143074172
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
(3S)-1-[(4-chlorophenyl)methyl]-4-(2,4-difluorobenzoyl)-3-methyl-3H-quinoxalin-2-one
CID 1470866
1-[(2,6-dichlorophenyl)methyl]-4-(2,4-difluorobenzoyl)-3-methyl-3H-quinoxalin-2-one
CID 3750374
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
1-[2-methyl-4-(naphthalene-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123485876
(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 107676708
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone (CID 166219525) is [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone is CC1CN(C(=O)c2ccc(F)cc2F)c2ccccc2N1C(=O)c1ccc(F)cc1F.
What is the InChIKey of [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is JTNSPFCOTUOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c1-13-12-28(22(30)16-8-6-14(24)10-18(16)26)20-4-2-3-5-21(20)29(13)23(31)17-9-7-15(25)11-19(17)27/h2-11,13H,12H2,1H3.
What are the key properties of [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 428.39 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 166219525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).