CID 95794161

C26H27N3O3 — CID 95794161

IUPAC—
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21
InChIInChI=1S/C26H27N3O3/c1-31-22-10-5-2-7-19(22)24(30)28-15-12-25(13-16-28)17-26(18-32-25)23-11-6-14-29(23)21-9-4-3-8-20(21)27-26/h2-11,14,27H,12-13,15-18H2,1H3/t26-/m1/s1
InChIKeyVIUUTRJEGMFVJZ-AREMUKBSSA-N
MW429.52 g/mol
LogP4.20
Rot. Bonds2

About CID 95794161

CID 95794161 (PubChem CID 95794161) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol.

Molecular Properties

Compound NameCID 95794161
PubChem CID95794161
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name—
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21
InChIInChI=1S/C26H27N3O3/c1-31-22-10-5-2-7-19(22)24(30)28-15-12-25(13-16-28)17-26(18-32-25)23-11-6-14-29(23)21-9-4-3-8-20(21)27-26/h2-11,14,27H,12-13,15-18H2,1H3/t26-/m1/s1
InChIKeyVIUUTRJEGMFVJZ-AREMUKBSSA-N
XLogP4.20
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058091
CID 110212601
CID 110212601
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
CID 95794222
CID 95794222
CID 95794206
CID 95794206
N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357445
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 53025823
CID 110212525
CID 110212525
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
CID 110212622
CID 110212622
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836

Frequently Asked Questions

What is the IUPAC name of CID 95794161?
The IUPAC name of CID 95794161 (CID 95794161) is not available.
What is the SMILES notation for CID 95794161?
The canonical SMILES for CID 95794161 is COc1ccccc1C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21.
What is the InChIKey of CID 95794161?
The InChIKey is VIUUTRJEGMFVJZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-22-10-5-2-7-19(22)24(30)28-15-12-25(13-16-28)17-26(18-32-25)23-11-6-14-29(23)21-9-4-3-8-20(21)27-26/h2-11,14,27H,12-13,15-18H2,1H3/t26-/m1/s1.
What are the key properties of CID 95794161?
CID 95794161 has a molecular weight of 429.52 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95794161 is sourced from PubChem (CID 95794161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).