4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C20H27N3O2 — CID 52530145

IUPAC4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESC[C@@H](C1CC1)N(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C20H27N3O2/c1-14(15-9-10-15)22(2)13-18(24)23-17-8-4-3-7-16(17)21-19(25)20(23)11-5-6-12-20/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyGSWNUQCGIKSBAW-AWEZNQCLSA-N
MW341.45 g/mol
LogP3.01
Rot. Bonds4

About 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 52530145) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID52530145
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESC[C@@H](C1CC1)N(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C20H27N3O2/c1-14(15-9-10-15)22(2)13-18(24)23-17-8-4-3-7-16(17)21-19(25)20(23)11-5-6-12-20/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyGSWNUQCGIKSBAW-AWEZNQCLSA-N
XLogP3.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 46551887
4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86825126
4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470601
4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55591318
4-[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86894645
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
CID 120774269
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
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-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470154
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470222
1-O-methyl 2-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505639
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471388

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 52530145) is 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is C[C@@H](C1CC1)N(C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is GSWNUQCGIKSBAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(15-9-10-15)22(2)13-18(24)23-17-8-4-3-7-16(17)21-19(25)20(23)11-5-6-12-20/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 341.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 52530145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).