1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one

C24H34N4O — CID 59450998

IUPAC1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one
SMILESC=CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C24H34N4O/c1-2-16-25-23-24(29)28(22-13-9-8-12-21(22)26-23)20-14-17-27(18-15-20)19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,1,3-7,10-11,14-18H2,(H,25,26)
InChIKeyZAGLPCIXDGWMFY-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.74
Rot. Bonds5

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

1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one (PubChem CID 59450998) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one
PubChem CID59450998
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one
SMILESC=CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C24H34N4O/c1-2-16-25-23-24(29)28(22-13-9-8-12-21(22)26-23)20-14-17-27(18-15-20)19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,1,3-7,10-11,14-18H2,(H,25,26)
InChIKeyZAGLPCIXDGWMFY-UHFFFAOYSA-N
XLogP4.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one (CID 59450998) is 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one is C=CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one?
The InChIKey is ZAGLPCIXDGWMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-16-25-23-24(29)28(22-13-9-8-12-21(22)26-23)20-14-17-27(18-15-20)19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,1,3-7,10-11,14-18H2,(H,25,26).
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one?
1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one has a molecular weight of 394.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one is sourced from PubChem (CID 59450998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).