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

C19H20ClN3O3 — CID 72859866

IUPAC8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ccc3cccc(Cl)c3n1)CC2
InChIInChI=1S/C19H20ClN3O3/c1-22-16(24)11-13(18(25)26)19(22)7-9-23(10-8-19)15-6-5-12-3-2-4-14(20)17(12)21-15/h2-6,13H,7-11H2,1H3,(H,25,26)
InChIKeyGWGQICTURIMLCQ-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.79
Rot. Bonds2

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

8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72859866) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72859866
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ccc3cccc(Cl)c3n1)CC2
InChIInChI=1S/C19H20ClN3O3/c1-22-16(24)11-13(18(25)26)19(22)7-9-23(10-8-19)15-6-5-12-3-2-4-14(20)17(12)21-15/h2-6,13H,7-11H2,1H3,(H,25,26)
InChIKeyGWGQICTURIMLCQ-UHFFFAOYSA-N
XLogP2.79
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-3-(3-chlorophenyl)-4-oxo-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 162677147
1-(8-Chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56916819
1-Methyl-2-oxo-8-(5,6,7,8-tetrahydroquinolin-2-YL)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72856831
1-Methyl-8-(4-methylquinolin-2-YL)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72918580
1-Methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72934839
1-[6-Chloro-5-(3-cyclohexylpropanoylamino)quinolin-2-yl]piperidine-4-carboxylic acid
CID 11202485
1-[6-Chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]piperidine-4-carboxylic acid
CID 11235918
2-[1-[6-Chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]piperidin-4-yl]acetic acid
CID 11316716
1-[6-Chloro-5-(3-cyclopentylpropanoylamino)quinolin-2-yl]piperidine-4-carboxylic acid
CID 11350896
(2R)-1-[6-chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]pyrrolidine-2-carboxylic acid
CID 11455356
(2S)-1-[6-chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]pyrrolidine-2-carboxylic acid
CID 91328546
(3R)-1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 118058444

Frequently Asked Questions

What is the IUPAC name of 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72859866) is 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(c1ccc3cccc(Cl)c3n1)CC2.
What is the InChIKey of 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is GWGQICTURIMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-22-16(24)11-13(18(25)26)19(22)7-9-23(10-8-19)15-6-5-12-3-2-4-14(20)17(12)21-15/h2-6,13H,7-11H2,1H3,(H,25,26).
What are the key properties of 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 373.84 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-chloroquinolin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72859866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).