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

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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).