3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one

C19H24F2N2O2 — CID 90058177

IUPAC3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCCC[C@H]3CCC(F)(F)C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24F2N2O2/c1-25-14-7-8-15-17(11-14)23-18(24)16(22-15)6-4-2-3-5-13-9-10-19(20,21)12-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyIFEOIDDTYUFSBV-ZDUSSCGKSA-N
MW350.41 g/mol
LogP4.47
Rot. Bonds7

About 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one

3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one (PubChem CID 90058177) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
PubChem CID90058177
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCCC[C@H]3CCC(F)(F)C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24F2N2O2/c1-25-14-7-8-15-17(11-14)23-18(24)16(22-15)6-4-2-3-5-13-9-10-19(20,21)12-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyIFEOIDDTYUFSBV-ZDUSSCGKSA-N
XLogP4.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
CID 123978378
3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 129058167
3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
CID 90058415
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
CID 122576125
7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
CID 138709563
1-[2-(carboxyamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid;3-(5-cyclopropylpentyl)-7-methoxy-1H-quinoxalin-2-one;ethane
CID 144537814
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
CID 173144591
3-[5-[(2S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-(trifluoromethoxy)-1H-quinoxalin-2-one
CID 129058004
3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058335
3-[1,1-difluoro-4-[(2R)-spiro[2.4]heptan-2-yl]butyl]-7-methoxy-1H-quinoxalin-2-one
CID 163501737
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one (CID 90058177) is 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(CCCCC[C@H]3CCC(F)(F)C3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is IFEOIDDTYUFSBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-25-14-7-8-15-17(11-14)23-18(24)16(22-15)6-4-2-3-5-13-9-10-19(20,21)12-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,23,24)/t13-/m0/s1.
What are the key properties of 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one?
3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 350.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90058177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).