6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one

C28H36N4O — CID 140552900

IUPAC6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESO=c1cnc2cc(NCc3ccccc3)ccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C28H36N4O/c33-28-21-30-26-19-23(29-20-22-9-5-4-6-10-22)13-14-27(26)32(28)25-15-17-31(18-16-25)24-11-7-2-1-3-8-12-24/h4-6,9-10,13-14,19,21,24-25,29H,1-3,7-8,11-12,15-18,20H2
InChIKeyYVGVBTRBPJZXGI-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.76
Rot. Bonds5

About 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one

6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (PubChem CID 140552900) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
PubChem CID140552900
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESO=c1cnc2cc(NCc3ccccc3)ccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C28H36N4O/c33-28-21-30-26-19-23(29-20-22-9-5-4-6-10-22)13-14-27(26)32(28)25-15-17-31(18-16-25)24-11-7-2-1-3-8-12-24/h4-6,9-10,13-14,19,21,24-25,29H,1-3,7-8,11-12,15-18,20H2
InChIKeyYVGVBTRBPJZXGI-UHFFFAOYSA-N
XLogP5.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The IUPAC name of 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (CID 140552900) is 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.
What is the SMILES notation for 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The canonical SMILES for 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is O=c1cnc2cc(NCc3ccccc3)ccc2n1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The InChIKey is YVGVBTRBPJZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c33-28-21-30-26-19-23(29-20-22-9-5-4-6-10-22)13-14-27(26)32(28)25-15-17-31(18-16-25)24-11-7-2-1-3-8-12-24/h4-6,9-10,13-14,19,21,24-25,29H,1-3,7-8,11-12,15-18,20H2.
What are the key properties of 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one has a molecular weight of 444.62 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is sourced from PubChem (CID 140552900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).