3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one

C24H30N4O2 — CID 129058350

IUPAC3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one
SMILESCC1CCC[C@H]1CCCCCc1nc2ccc(OCc3cnccn3)cc2[nH]c1=O
InChIInChI=1S/C24H30N4O2/c1-17-6-5-8-18(17)7-3-2-4-9-22-24(29)28-23-14-20(10-11-21(23)27-22)30-16-19-15-25-12-13-26-19/h10-15,17-18H,2-9,16H2,1H3,(H,28,29)/t17?,18-/m1/s1
InChIKeySKIGNFMFKAYOFD-QRWMCTBCSA-N
MW406.53 g/mol
LogP4.83
Rot. Bonds9

About 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one

3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one (PubChem CID 129058350) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one
PubChem CID129058350
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one
SMILESCC1CCC[C@H]1CCCCCc1nc2ccc(OCc3cnccn3)cc2[nH]c1=O
InChIInChI=1S/C24H30N4O2/c1-17-6-5-8-18(17)7-3-2-4-9-22-24(29)28-23-14-20(10-11-21(23)27-22)30-16-19-15-25-12-13-26-19/h10-15,17-18H,2-9,16H2,1H3,(H,28,29)/t17?,18-/m1/s1
InChIKeySKIGNFMFKAYOFD-QRWMCTBCSA-N
XLogP4.83
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one?
The IUPAC name of 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one (CID 129058350) is 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one?
The canonical SMILES for 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one is CC1CCC[C@H]1CCCCCc1nc2ccc(OCc3cnccn3)cc2[nH]c1=O.
What is the InChIKey of 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one?
The InChIKey is SKIGNFMFKAYOFD-QRWMCTBCSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-6-5-8-18(17)7-3-2-4-9-22-24(29)28-23-14-20(10-11-21(23)27-22)30-16-19-15-25-12-13-26-19/h10-15,17-18H,2-9,16H2,1H3,(H,28,29)/t17?,18-/m1/s1.
What are the key properties of 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one?
3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one has a molecular weight of 406.53 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-2-methylcyclopentyl]pentyl]-7-(pyrazin-2-ylmethoxy)-1H-quinoxalin-2-one is sourced from PubChem (CID 129058350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).