3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one

C20H24F2N2O2 — CID 90058335

IUPAC3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)C3(CCC[C@@H]4CC4C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H24F2N2O2/c1-12-10-13(12)4-3-7-19(8-9-19)20(21,22)17-18(25)24-16-11-14(26-2)5-6-15(16)23-17/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,25)/t12?,13-/m1/s1
InChIKeySJAFGJXWJOAADL-ZGTCLIOFSA-N
MW362.42 g/mol
LogP4.63
Rot. Bonds7

About 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one

3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one (PubChem CID 90058335) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one
PubChem CID90058335
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)C3(CCC[C@@H]4CC4C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H24F2N2O2/c1-12-10-13(12)4-3-7-19(8-9-19)20(21,22)17-18(25)24-16-11-14(26-2)5-6-15(16)23-17/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,25)/t12?,13-/m1/s1
InChIKeySJAFGJXWJOAADL-ZGTCLIOFSA-N
XLogP4.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
CID 122576125
7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one
CID 90058325
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
3-[1,1-difluoro-4-[(2R)-spiro[2.4]heptan-2-yl]butyl]-7-methoxy-1H-quinoxalin-2-one
CID 163501737
3-[1,1-difluoro-4-(7-methylspiro[2.4]heptan-2-yl)butyl]-7-methoxy-1H-quinoxalin-2-one
CID 162573492
3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 129058167
3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058177
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
CID 90058415
3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
CID 123978378
3-[5-[(2S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-(trifluoromethoxy)-1H-quinoxalin-2-one
CID 129058004
[(1R,2R,3S,4S)-2-[5,5-difluoro-5-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)pentyl]-3,4-dimethylcyclopentyl] N-[(2S)-1-[(2S,3R)-2-carbamoyl-3-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 131997084

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one (CID 90058335) is 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(C(F)(F)C3(CCC[C@@H]4CC4C)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is SJAFGJXWJOAADL-ZGTCLIOFSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-12-10-13(12)4-3-7-19(8-9-19)20(21,22)17-18(25)24-16-11-14(26-2)5-6-15(16)23-17/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,25)/t12?,13-/m1/s1.
What are the key properties of 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one?
3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 362.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).