1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one

C27H31N3O4 — CID 53025823

IUPAC1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC
InChIInChI=1S/C27H31N3O4/c1-32-22-17-19(18-23(33-2)26(22)34-3)10-11-25(31)29-15-12-27(13-16-29)24-9-6-14-30(24)21-8-5-4-7-20(21)28-27/h4-9,14,17-18,28H,10-13,15-16H2,1-3H3
InChIKeyXQZZRZNTLBYPBM-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.38
Rot. Bonds6

About 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 53025823) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID53025823
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC
InChIInChI=1S/C27H31N3O4/c1-32-22-17-19(18-23(33-2)26(22)34-3)10-11-25(31)29-15-12-27(13-16-29)24-9-6-14-30(24)21-8-5-4-7-20(21)28-27/h4-9,14,17-18,28H,10-13,15-16H2,1-3H3
InChIKeyXQZZRZNTLBYPBM-UHFFFAOYSA-N
XLogP4.38
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357445
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058091
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
CID 14944974
1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 70814253
N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357472
1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025683
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
CID 95794161
CID 95794161
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511

Frequently Asked Questions

What is the IUPAC name of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 53025823) is 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one is COc1cc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC.
What is the InChIKey of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is XQZZRZNTLBYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-32-22-17-19(18-23(33-2)26(22)34-3)10-11-25(31)29-15-12-27(13-16-29)24-9-6-14-30(24)21-8-5-4-7-20(21)28-27/h4-9,14,17-18,28H,10-13,15-16H2,1-3H3.
What are the key properties of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one?
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 461.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 53025823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).