2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

C18H18N4O5 — CID 70729953

IUPAC2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(C(=O)c3cccc4nccnc34)CC2)OC1=O
InChIInChI=1S/C18H18N4O5/c23-14(24)10-22-11-18(27-17(22)26)4-8-21(9-5-18)16(25)12-2-1-3-13-15(12)20-7-6-19-13/h1-3,6-7H,4-5,8-11H2,(H,23,24)
InChIKeyIFKYXMXDAWLWSZ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.14
Rot. Bonds3

About 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 70729953) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
PubChem CID70729953
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(C(=O)c3cccc4nccnc34)CC2)OC1=O
InChIInChI=1S/C18H18N4O5/c23-14(24)10-22-11-18(27-17(22)26)4-8-21(9-5-18)16(25)12-2-1-3-13-15(12)20-7-6-19-13/h1-3,6-7H,4-5,8-11H2,(H,23,24)
InChIKeyIFKYXMXDAWLWSZ-UHFFFAOYSA-N
XLogP1.14
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid with MolForge

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Related Compounds

8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone
CID 91908253
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 125161889
8-(2,3-dimethylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902227
8-(2-chloropyridine-3-carbonyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 87197721
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70720267
2-[8-[4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 59043083
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-quinoxalin-5-ylmethanone
CID 163312283

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (CID 70729953) is 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is O=C(O)CN1CC2(CCN(C(=O)c3cccc4nccnc34)CC2)OC1=O.
What is the InChIKey of 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The InChIKey is IFKYXMXDAWLWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-14(24)10-22-11-18(27-17(22)26)4-8-21(9-5-18)16(25)12-2-1-3-13-15(12)20-7-6-19-13/h1-3,6-7H,4-5,8-11H2,(H,23,24).
What are the key properties of 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 370.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 70729953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).