4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C25H27N3O3 — CID 46551887

IUPAC4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C25H27N3O3/c1-17(22-15-18-9-3-6-12-21(18)31-22)27(2)16-23(29)28-20-11-5-4-10-19(20)26-24(30)25(28)13-7-8-14-25/h3-6,9-12,15,17H,7-8,13-14,16H2,1-2H3,(H,26,30)
InChIKeyQBPOLKAOZNPBAO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.72
Rot. Bonds4

About 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 46551887) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID46551887
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C25H27N3O3/c1-17(22-15-18-9-3-6-12-21(18)31-22)27(2)16-23(29)28-20-11-5-4-10-19(20)26-24(30)25(28)13-7-8-14-25/h3-6,9-12,15,17H,7-8,13-14,16H2,1-2H3,(H,26,30)
InChIKeyQBPOLKAOZNPBAO-UHFFFAOYSA-N
XLogP4.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one with MolForge

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Related Compounds

N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
N-[2-(4-Benzofuran-7-yl-piperazin-1-yl)-ethyl]-4-fluoro-benzamide
CID 9999042
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide
CID 155681516
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
Befiperide
CID 182859
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)-1,2,3,4-tetrahydroquinoline
CID 888386
3-{[1-(1-Benzofuran-2-yl)ethyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454421
Cyclohexanecarboxylic acid [2-(4-benzofuran-7-yl-piperazin-1-yl)-ethyl]-amide
CID 9975506
5-iodo-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 44393403
1-(1-Benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
CID 45261116

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 46551887) is 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is CC(c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is QBPOLKAOZNPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(22-15-18-9-3-6-12-21(18)31-22)27(2)16-23(29)28-20-11-5-4-10-19(20)26-24(30)25(28)13-7-8-14-25/h3-6,9-12,15,17H,7-8,13-14,16H2,1-2H3,(H,26,30).
What are the key properties of 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 46551887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).