(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H20N4O4 — CID 125161889

IUPAC(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1cccc3nccnc13)CC2
InChIInChI=1S/C19H20N4O4/c1-22-15(24)11-13(18(26)27)19(22)5-9-23(10-6-19)17(25)12-3-2-4-14-16(12)21-8-7-20-14/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,26,27)/t13-/m0/s1
InChIKeySEMNJNGVTPHPNI-ZDUSSCGKSA-N
MW368.39 g/mol
LogP1.17
Rot. Bonds2

About (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 125161889) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID125161889
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1cccc3nccnc13)CC2
InChIInChI=1S/C19H20N4O4/c1-22-15(24)11-13(18(26)27)19(22)5-9-23(10-6-19)17(25)12-3-2-4-14-16(12)21-8-7-20-14/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,26,27)/t13-/m0/s1
InChIKeySEMNJNGVTPHPNI-ZDUSSCGKSA-N
XLogP1.17
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72873553
8-[2-(dimethylamino)benzoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841504
1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72837196
(4R)-1-methyl-2-oxo-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97116763
(4S)-8-(3-methoxybenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97197781
(4S)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194960
(4R)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194961
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
8-(2,1,3-benzoxadiazol-4-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72872853
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207241

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 125161889) is (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1cccc3nccnc13)CC2.
What is the InChIKey of (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is SEMNJNGVTPHPNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-22-15(24)11-13(18(26)27)19(22)5-9-23(10-6-19)17(25)12-3-2-4-14-16(12)21-8-7-20-14/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,26,27)/t13-/m0/s1.
What are the key properties of (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 125161889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).