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

C24H25N3O3 — CID 53025906

IUPAC(4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-29-18-7-5-17(6-8-18)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(30-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3
InChIKeyHLFHSIACIXFZGW-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.05
Rot. Bonds3

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

(4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53025906) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53025906
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-29-18-7-5-17(6-8-18)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(30-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3
InChIKeyHLFHSIACIXFZGW-UHFFFAOYSA-N
XLogP4.05
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53025906) is (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is COc1ccc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is HLFHSIACIXFZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-18-7-5-17(6-8-18)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(30-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
(4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 403.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53025906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).