1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone

C24H27N3OS — CID 53022844

IUPAC1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C24H27N3OS/c1-3-27-21-16-18(2)8-9-20(21)26-12-4-7-22(26)24(27)10-13-25(14-11-24)23(28)17-19-6-5-15-29-19/h4-9,12,15-16H,3,10-11,13-14,17H2,1-2H3
InChIKeyCPIGEMGABBLDTM-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.75
Rot. Bonds3

About 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone

1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone (PubChem CID 53022844) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone
PubChem CID53022844
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C24H27N3OS/c1-3-27-21-16-18(2)8-9-20(21)26-12-4-7-22(26)24(27)10-13-25(14-11-24)23(28)17-19-6-5-15-29-19/h4-9,12,15-16H,3,10-11,13-14,17H2,1-2H3
InChIKeyCPIGEMGABBLDTM-UHFFFAOYSA-N
XLogP4.75
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone (CID 53022844) is 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone is CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Cc1cccs1)CC2.
What is the InChIKey of 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is CPIGEMGABBLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-3-27-21-16-18(2)8-9-20(21)26-12-4-7-22(26)24(27)10-13-25(14-11-24)23(28)17-19-6-5-15-29-19/h4-9,12,15-16H,3,10-11,13-14,17H2,1-2H3.
What are the key properties of 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone?
1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 405.57 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 53022844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).