1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H21N3O4 — CID 72837196

IUPAC1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)c1cnc3ccccc3c1)CC2
InChIInChI=1S/C20H21N3O4/c1-22-17(24)11-15(19(26)27)20(22)6-8-23(9-7-20)18(25)14-10-13-4-2-3-5-16(13)21-12-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,26,27)
InChIKeyYUSHVKYSXHMKMA-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.77
Rot. Bonds2

About 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72837196) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72837196
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)c1cnc3ccccc3c1)CC2
InChIInChI=1S/C20H21N3O4/c1-22-17(24)11-15(19(26)27)20(22)6-8-23(9-7-20)18(25)14-10-13-4-2-3-5-16(13)21-12-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,26,27)
InChIKeyYUSHVKYSXHMKMA-UHFFFAOYSA-N
XLogP1.77
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 125161889
(4S)-8-(3-methoxybenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97197781
8-[2-(dimethylamino)benzoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841504
(4R)-1-methyl-2-oxo-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97116763
8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72873553
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
(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
(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
CID 129488364
(4S)-1-methyl-2-oxo-8-(5-phenylpentanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188282
2-phenyl-1-pyridin-2-yl-7-(quinoline-3-carbonyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 24953977
(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72837196) is 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)c1cnc3ccccc3c1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is YUSHVKYSXHMKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-22-17(24)11-15(19(26)27)20(22)6-8-23(9-7-20)18(25)14-10-13-4-2-3-5-16(13)21-12-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,26,27).
What are the key properties of 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72837196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).