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

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Related Compounds

4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 52530145
4-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470154
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86825126
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-(4-methylphenoxy)propanoate
CID 55458460
4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 46551887
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
6-amino-1-benzyl-5-[methyl-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl]amino]pyrimidine-2,4-dione
CID 55500027
4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55591318
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471388
4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55628491
4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 78825683

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).