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

C23H35N5O — CID 59450961

IUPAC3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESNCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C23H35N5O/c24-14-15-25-22-23(29)28(21-11-7-6-10-20(21)26-22)19-12-16-27(17-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-17,24H2,(H,25,26)
InChIKeyMRKYPRJWMRWQMQ-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.52
Rot. Bonds5

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

3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (PubChem CID 59450961) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
PubChem CID59450961
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
SMILESNCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C23H35N5O/c24-14-15-25-22-23(29)28(21-11-7-6-10-20(21)26-22)19-12-16-27(17-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-17,24H2,(H,25,26)
InChIKeyMRKYPRJWMRWQMQ-UHFFFAOYSA-N
XLogP3.52
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The IUPAC name of 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one (CID 59450961) is 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one.
What is the SMILES notation for 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The canonical SMILES for 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
The InChIKey is MRKYPRJWMRWQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c24-14-15-25-22-23(29)28(21-11-7-6-10-20(21)26-22)19-12-16-27(17-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-17,24H2,(H,25,26).
What are the key properties of 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one?
3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one has a molecular weight of 397.57 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one is sourced from PubChem (CID 59450961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).