(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone

C24H25N3O — CID 53058186

IUPAC(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone
SMILESCc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3)CC1)N2
InChIInChI=1S/C24H25N3O/c1-17-10-11-20-22(18(17)2)27-14-6-9-21(27)24(25-20)12-15-26(16-13-24)23(28)19-7-4-3-5-8-19/h3-11,14,25H,12-13,15-16H2,1-2H3
InChIKeyYLZDZNCKEBPCFI-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.65
Rot. Bonds1

About (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone

(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone (PubChem CID 53058186) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone.

Molecular Properties

Compound Name(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone
PubChem CID53058186
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone
SMILESCc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3)CC1)N2
InChIInChI=1S/C24H25N3O/c1-17-10-11-20-22(18(17)2)27-14-6-9-21(27)24(25-20)12-15-26(16-13-24)23(28)19-7-4-3-5-8-19/h3-11,14,25H,12-13,15-16H2,1-2H3
InChIKeyYLZDZNCKEBPCFI-UHFFFAOYSA-N
XLogP4.65
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone?
The IUPAC name of (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone (CID 53058186) is (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone.
What is the SMILES notation for (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone?
The canonical SMILES for (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone is Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3)CC1)N2.
What is the InChIKey of (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone?
The InChIKey is YLZDZNCKEBPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-10-11-20-22(18(17)2)27-14-6-9-21(27)24(25-20)12-15-26(16-13-24)23(28)19-7-4-3-5-8-19/h3-11,14,25H,12-13,15-16H2,1-2H3.
What are the key properties of (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone?
(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone has a molecular weight of 371.48 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone is sourced from PubChem (CID 53058186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).