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

C27H34N4O — CID 59450912

IUPAC3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESO=c1c(Nc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C27H34N4O/c32-27-26(28-21-11-5-4-6-12-21)29-24-15-9-10-16-25(24)31(27)23-17-19-30(20-18-23)22-13-7-2-1-3-8-14-22/h4-6,9-12,15-16,22-23H,1-3,7-8,13-14,17-20H2,(H,28,29)
InChIKeyUOZSEFWEWFFGCZ-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.89
Rot. Bonds4

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

3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (PubChem CID 59450912) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
PubChem CID59450912
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESO=c1c(Nc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C27H34N4O/c32-27-26(28-21-11-5-4-6-12-21)29-24-15-9-10-16-25(24)31(27)23-17-19-30(20-18-23)22-13-7-2-1-3-8-14-22/h4-6,9-12,15-16,22-23H,1-3,7-8,13-14,17-20H2,(H,28,29)
InChIKeyUOZSEFWEWFFGCZ-UHFFFAOYSA-N
XLogP5.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The IUPAC name of 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (CID 59450912) is 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.
What is the SMILES notation for 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The canonical SMILES for 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is O=c1c(Nc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The InChIKey is UOZSEFWEWFFGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c32-27-26(28-21-11-5-4-6-12-21)29-24-15-9-10-16-25(24)31(27)23-17-19-30(20-18-23)22-13-7-2-1-3-8-14-22/h4-6,9-12,15-16,22-23H,1-3,7-8,13-14,17-20H2,(H,28,29).
What are the key properties of 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one has a molecular weight of 430.60 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is sourced from PubChem (CID 59450912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).