ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate

C24H33N3O3 — CID 59451088

IUPACethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C24H33N3O3/c1-2-30-24(29)22-23(28)27(21-13-9-8-12-20(21)25-22)19-14-16-26(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-19H,2-7,10-11,14-17H2,1H3
InChIKeyZMZYILLIMBOBHA-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.32
Rot. Bonds4

About ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate

ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate (PubChem CID 59451088) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate
PubChem CID59451088
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Nameethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C24H33N3O3/c1-2-30-24(29)22-23(28)27(21-13-9-8-12-20(21)25-22)19-14-16-26(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-19H,2-7,10-11,14-17H2,1H3
InChIKeyZMZYILLIMBOBHA-UHFFFAOYSA-N
XLogP4.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate?
The IUPAC name of ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate (CID 59451088) is ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate?
The InChIKey is ZMZYILLIMBOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-2-30-24(29)22-23(28)27(21-13-9-8-12-20(21)25-22)19-14-16-26(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-19H,2-7,10-11,14-17H2,1H3.
What are the key properties of ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate?
ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate has a molecular weight of 411.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate is sourced from PubChem (CID 59451088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).