[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone

C23H16F4N2O2 — CID 95785410

IUPAC[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
SMILESC[C@H]1CN(C(=O)c2c(F)cccc2F)c2ccccc2N1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H16F4N2O2/c1-13-12-28(22(30)20-14(24)6-4-7-15(20)25)18-10-2-3-11-19(18)29(13)23(31)21-16(26)8-5-9-17(21)27/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyVDTUAHHMIQCMEZ-ZDUSSCGKSA-N
MW428.39 g/mol
LogP4.94
Rot. Bonds2

About [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone

[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 95785410) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID95785410
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
SMILESC[C@H]1CN(C(=O)c2c(F)cccc2F)c2ccccc2N1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H16F4N2O2/c1-13-12-28(22(30)20-14(24)6-4-7-15(20)25)18-10-2-3-11-19(18)29(13)23(31)21-16(26)8-5-9-17(21)27/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyVDTUAHHMIQCMEZ-ZDUSSCGKSA-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 [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone
CID 166219525
(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 1474244
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
1-[2-methyl-4-(naphthalene-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123485876
(3R)-4-(2,6-difluorobenzoyl)-1-[(4-fluorophenyl)methyl]-3-methyl-3H-quinoxalin-2-one
CID 1474240
(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
CID 10515904
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
1-[2-methyl-4-(1-methylindole-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123398242
(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 176706267
2-(2,5-dimethylpiperidin-1-yl)-6-fluorobenzoic acid
CID 79511024
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone (CID 95785410) is [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone is C[C@H]1CN(C(=O)c2c(F)cccc2F)c2ccccc2N1C(=O)c1c(F)cccc1F.
What is the InChIKey of [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is VDTUAHHMIQCMEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c1-13-12-28(22(30)20-14(24)6-4-7-15(20)25)18-10-2-3-11-19(18)29(13)23(31)21-16(26)8-5-9-17(21)27/h2-11,13H,12H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone?
[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-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 [(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 95785410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).