8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H23N3O3 — CID 72892575

IUPAC8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc2c(N3CCC4(CC3)NC(=O)CC4C(=O)O)ccnc2c1C
InChIInChI=1S/C20H23N3O3/c1-12-3-4-14-16(5-8-21-18(14)13(12)2)23-9-6-20(7-10-23)15(19(25)26)11-17(24)22-20/h3-5,8,15H,6-7,9-11H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyLXUKKEMCUZSFEA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.41
Rot. Bonds2

About 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72892575) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72892575
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc2c(N3CCC4(CC3)NC(=O)CC4C(=O)O)ccnc2c1C
InChIInChI=1S/C20H23N3O3/c1-12-3-4-14-16(5-8-21-18(14)13(12)2)23-9-6-20(7-10-23)15(19(25)26)11-17(24)22-20/h3-5,8,15H,6-7,9-11H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyLXUKKEMCUZSFEA-UHFFFAOYSA-N
XLogP2.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72871159
(4R)-8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97123973
4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191552
8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886739
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
CID 135101124
N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide
CID 91843158
(4R)-8-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207182
(4S)-8-(1H-benzimidazol-2-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124846890
(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97203858
8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72867678
4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline
CID 177092018

Frequently Asked Questions

What is the IUPAC name of 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72892575) is 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccc2c(N3CCC4(CC3)NC(=O)CC4C(=O)O)ccnc2c1C.
What is the InChIKey of 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is LXUKKEMCUZSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-3-4-14-16(5-8-21-18(14)13(12)2)23-9-6-20(7-10-23)15(19(25)26)11-17(24)22-20/h3-5,8,15H,6-7,9-11H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72892575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).