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

C22H20F2N4O — CID 155669594

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cncn1Cc1ccc(F)cc1F)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H20F2N4O/c23-16-6-5-15(18(24)11-16)13-26-14-25-12-21(26)22(29)28-10-9-27(17-7-8-17)19-3-1-2-4-20(19)28/h1-6,11-12,14,17H,7-10,13H2
InChIKeyXZSMYYVGVXAOKM-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.84
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone (PubChem CID 155669594) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone
PubChem CID155669594
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cncn1Cc1ccc(F)cc1F)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H20F2N4O/c23-16-6-5-15(18(24)11-16)13-26-14-25-12-21(26)22(29)28-10-9-27(17-7-8-17)19-3-1-2-4-20(19)28/h1-6,11-12,14,17H,7-10,13H2
InChIKeyXZSMYYVGVXAOKM-UHFFFAOYSA-N
XLogP3.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
3-[3-(Trifluoromethyl)phenyl]-5-isopropylimidazo[1,5-a]quinoxaline-4(5H)-one
CID 10523240
3-Phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10542471
3-(4-Fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10615738
3-(4-Fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10616779
7-Fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10687223
7-Fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10712110
3-(3-Fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10829588
(1-Methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195775
(3-Methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195777

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone (CID 155669594) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone is O=C(c1cncn1Cc1ccc(F)cc1F)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone?
The InChIKey is XZSMYYVGVXAOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-16-6-5-15(18(24)11-16)13-26-14-25-12-21(26)22(29)28-10-9-27(17-7-8-17)19-3-1-2-4-20(19)28/h1-6,11-12,14,17H,7-10,13H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone has a molecular weight of 394.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone is sourced from PubChem (CID 155669594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).