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

C28H36N4O — CID 59450940

IUPAC3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESO=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C28H36N4O/c33-28-27(29-21-22-11-5-4-6-12-22)30-25-15-9-10-16-26(25)32(28)24-17-19-31(20-18-24)23-13-7-2-1-3-8-14-23/h4-6,9-12,15-16,23-24H,1-3,7-8,13-14,17-21H2,(H,29,30)
InChIKeyHZXQEXIWMIAORH-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.76
Rot. Bonds5

About 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one

3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (PubChem CID 59450940) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
PubChem CID59450940
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESO=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C28H36N4O/c33-28-27(29-21-22-11-5-4-6-12-22)30-25-15-9-10-16-26(25)32(28)24-17-19-31(20-18-24)23-13-7-2-1-3-8-14-23/h4-6,9-12,15-16,23-24H,1-3,7-8,13-14,17-21H2,(H,29,30)
InChIKeyHZXQEXIWMIAORH-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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Related Compounds

ethyl 3-[[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]amino]propanoate
CID 59450939
2-[[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]amino]propanal
CID 146238944
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
CID 118919117
1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
CID 59451085
1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidine-3-carboxylic acid
CID 59451028
6-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
CID 140552900
1-(1-cyclooctylpiperidin-4-yl)-3-(3-iminopyrrolidin-1-yl)quinoxalin-2-one
CID 163455019
1-(1-cyclooctylpiperidin-4-yl)-3-[(6-methoxy-3-pyridinyl)amino]quinoxalin-2-one
CID 66827852
1-(1-cyclooctylpiperidin-4-yl)-3-(2,3-dihydroindol-1-yl)quinoxalin-2-one
CID 59451001
2-[2-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoacetic acid
CID 59450898
4-(1-cyclooctylpiperidin-4-yl)-N-(2,3-dihydroxypropyl)-3-oxoquinoxaline-2-carboxamide
CID 59451176
4-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]-3-methylbutanoic acid
CID 159717370

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The IUPAC name of 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (CID 59450940) is 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.
What is the SMILES notation for 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The canonical SMILES for 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The InChIKey is HZXQEXIWMIAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c33-28-27(29-21-22-11-5-4-6-12-22)30-25-15-9-10-16-26(25)32(28)24-17-19-31(20-18-24)23-13-7-2-1-3-8-14-23/h4-6,9-12,15-16,23-24H,1-3,7-8,13-14,17-21H2,(H,29,30).
What are the key properties of 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
3-(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 3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is sourced from PubChem (CID 59450940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).