1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone

C25H25N3O3 — CID 70814248

IUPAC1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C(C)=O)cc3)CC1)c1cccn1-2
InChIInChI=1S/C25H25N3O3/c1-17(29)18-5-7-19(8-6-18)24(30)27-14-11-25(12-15-27)23-4-3-13-28(23)22-10-9-20(31-2)16-21(22)26-25/h3-10,13,16,26H,11-12,14-15H2,1-2H3
InChIKeyBFQIKTFOLNFPNM-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.25
Rot. Bonds3

About 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone

1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone (PubChem CID 70814248) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
PubChem CID70814248
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C(C)=O)cc3)CC1)c1cccn1-2
InChIInChI=1S/C25H25N3O3/c1-17(29)18-5-7-19(8-6-18)24(30)27-14-11-25(12-15-27)23-4-3-13-28(23)22-10-9-20(31-2)16-21(22)26-25/h3-10,13,16,26H,11-12,14-15H2,1-2H3
InChIKeyBFQIKTFOLNFPNM-UHFFFAOYSA-N
XLogP4.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114
1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 70814273
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
CID 118714783
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511
CID 95794222
CID 95794222
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260
CID 110212601
CID 110212601

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone (CID 70814248) is 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C(C)=O)cc3)CC1)c1cccn1-2.
What is the InChIKey of 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone?
The InChIKey is BFQIKTFOLNFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(29)18-5-7-19(8-6-18)24(30)27-14-11-25(12-15-27)23-4-3-13-28(23)22-10-9-20(31-2)16-21(22)26-25/h3-10,13,16,26H,11-12,14-15H2,1-2H3.
What are the key properties of 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone?
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone has a molecular weight of 415.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone is sourced from PubChem (CID 70814248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).