3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one

C19H24F2N2O2 — CID 129058167

IUPAC3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCCC[C@@H]3C[C@@H]3CC(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C19H24F2N2O2/c1-25-14-7-8-15-17(11-14)23-19(24)16(22-15)6-4-2-3-5-12-9-13(12)10-18(20)21/h7-8,11-13,18H,2-6,9-10H2,1H3,(H,23,24)/t12-,13-/m1/s1
InChIKeyBHOZYOKHBQSWIN-CHWSQXEVSA-N
MW350.41 g/mol
LogP4.33
Rot. Bonds9

About 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one

3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one (PubChem CID 129058167) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
PubChem CID129058167
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCCC[C@@H]3C[C@@H]3CC(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C19H24F2N2O2/c1-25-14-7-8-15-17(11-14)23-19(24)16(22-15)6-4-2-3-5-12-9-13(12)10-18(20)21/h7-8,11-13,18H,2-6,9-10H2,1H3,(H,23,24)/t12-,13-/m1/s1
InChIKeyBHOZYOKHBQSWIN-CHWSQXEVSA-N
XLogP4.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058177
3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
CID 90058415
3-[5-[(2S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-(trifluoromethoxy)-1H-quinoxalin-2-one
CID 129058004
3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
CID 123978378
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
CID 173144591
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one
CID 90058325
4-(5-methoxycarbonylpyrrolidin-2-yl)-2-[[2-[5-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl]oxycarbonylamino]-3,3-dimethylbutanoic acid
CID 123821331
3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one
CID 122576111
3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one
CID 129058350
3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058335
7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
CID 138709563

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one (CID 129058167) is 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(CCCCC[C@@H]3C[C@@H]3CC(F)F)c(=O)[nH]c2c1.
What is the InChIKey of 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is BHOZYOKHBQSWIN-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-25-14-7-8-15-17(11-14)23-19(24)16(22-15)6-4-2-3-5-12-9-13(12)10-18(20)21/h7-8,11-13,18H,2-6,9-10H2,1H3,(H,23,24)/t12-,13-/m1/s1.
What are the key properties of 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 350.41 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 129058167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).