[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone

C26H27F3N4O2 — CID 90846203

IUPAC[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)Nc2cc(C(F)(F)F)ccc2-n2cccc23)cc1N(C)C
InChIInChI=1S/C26H27F3N4O2/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(26(27,28)29)16-19(20)30-25/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3
InChIKeyRGKGDWOKTINAMY-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.13
Rot. Bonds3

About [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone

[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone (PubChem CID 90846203) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone
PubChem CID90846203
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)Nc2cc(C(F)(F)F)ccc2-n2cccc23)cc1N(C)C
InChIInChI=1S/C26H27F3N4O2/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(26(27,28)29)16-19(20)30-25/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3
InChIKeyRGKGDWOKTINAMY-UHFFFAOYSA-N
XLogP5.13
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[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)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone (CID 90846203) is [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone is COc1ccc(C(=O)N2CCC3(CC2)Nc2cc(C(F)(F)F)ccc2-n2cccc23)cc1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is RGKGDWOKTINAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(26(27,28)29)16-19(20)30-25/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone?
[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 484.52 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 90846203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).