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

C18H20F4N2O2 — CID 90058325

IUPAC7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)C(F)(F)CCC[C@@H]3CC3C)c(=O)[nH]c2c1
InChIInChI=1S/C18H20F4N2O2/c1-10-8-11(10)4-3-7-17(19,20)18(21,22)15-16(25)24-14-9-12(26-2)5-6-13(14)23-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25)/t10?,11-/m1/s1
InChIKeyFBXBWBUKEOARAP-RRKGBCIJSA-N
MW372.36 g/mol
LogP4.49
Rot. Bonds7

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

7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one (PubChem CID 90058325) has the molecular formula C18H20F4N2O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one
PubChem CID90058325
Molecular FormulaC18H20F4N2O2
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Name7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)C(F)(F)CCC[C@@H]3CC3C)c(=O)[nH]c2c1
InChIInChI=1S/C18H20F4N2O2/c1-10-8-11(10)4-3-7-17(19,20)18(21,22)15-16(25)24-14-9-12(26-2)5-6-13(14)23-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25)/t10?,11-/m1/s1
InChIKeyFBXBWBUKEOARAP-RRKGBCIJSA-N
XLogP4.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one (CID 90058325) is 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one is COc1ccc2nc(C(F)(F)C(F)(F)CCC[C@@H]3CC3C)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one?
The InChIKey is FBXBWBUKEOARAP-RRKGBCIJSA-N. The full InChI is InChI=1S/C18H20F4N2O2/c1-10-8-11(10)4-3-7-17(19,20)18(21,22)15-16(25)24-14-9-12(26-2)5-6-13(14)23-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25)/t10?,11-/m1/s1.
What are the key properties of 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one?
7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one has a molecular weight of 372.36 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 90058325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).