4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C20H29N3O4 — CID 55470601

IUPAC4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCOCCN(CCOC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C20H29N3O4/c1-26-13-11-22(12-14-27-2)15-18(24)23-17-8-4-3-7-16(17)21-19(25)20(23)9-5-6-10-20/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,21,25)
InChIKeyWMMFSCDQCHYVJF-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.88
Rot. Bonds8

About 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55470601) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55470601
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCOCCN(CCOC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C20H29N3O4/c1-26-13-11-22(12-14-27-2)15-18(24)23-17-8-4-3-7-16(17)21-19(25)20(23)9-5-6-10-20/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,21,25)
InChIKeyWMMFSCDQCHYVJF-UHFFFAOYSA-N
XLogP1.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55470601) is 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is COCCN(CCOC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is WMMFSCDQCHYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-13-11-22(12-14-27-2)15-18(24)23-17-8-4-3-7-16(17)21-19(25)20(23)9-5-6-10-20/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,21,25).
What are the key properties of 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 375.47 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55470601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).