[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C26H30N4O — CID 53058156

IUPAC[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3cccc(N(C)C)c3)CC1)N2
InChIInChI=1S/C26H30N4O/c1-18-10-11-22-24(19(18)2)30-14-6-9-23(30)26(27-22)12-15-29(16-13-26)25(31)20-7-5-8-21(17-20)28(3)4/h5-11,14,17,27H,12-13,15-16H2,1-4H3
InChIKeyONIOPMJOTWLNMN-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.72
Rot. Bonds2

About [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53058156) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53058156
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3cccc(N(C)C)c3)CC1)N2
InChIInChI=1S/C26H30N4O/c1-18-10-11-22-24(19(18)2)30-14-6-9-23(30)26(27-22)12-15-29(16-13-26)25(31)20-7-5-8-21(17-20)28(3)4/h5-11,14,17,27H,12-13,15-16H2,1-4H3
InChIKeyONIOPMJOTWLNMN-UHFFFAOYSA-N
XLogP4.72
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone 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 [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53058156) is [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3cccc(N(C)C)c3)CC1)N2.
What is the InChIKey of [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is ONIOPMJOTWLNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-18-10-11-22-24(19(18)2)30-14-6-9-23(30)26(27-22)12-15-29(16-13-26)25(31)20-7-5-8-21(17-20)28(3)4/h5-11,14,17,27H,12-13,15-16H2,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 414.55 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53058156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).