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

C19H21N3O3 — CID 72934839

IUPAC1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ccc3ccccc3n1)CC2
InChIInChI=1S/C19H21N3O3/c1-21-17(23)12-14(18(24)25)19(21)8-10-22(11-9-19)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,24,25)
InChIKeyDOVDVBGMVYZIPM-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.14
Rot. Bonds2

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

1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72934839) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72934839
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ccc3ccccc3n1)CC2
InChIInChI=1S/C19H21N3O3/c1-21-17(23)12-14(18(24)25)19(21)8-10-22(11-9-19)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,24,25)
InChIKeyDOVDVBGMVYZIPM-UHFFFAOYSA-N
XLogP2.14
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-3-{(S)-2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-pyrrolidin-1-yl}-3-quinolin-3-yl-propionic acid
CID 10344154
(S)-3-{(R)-2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-pyrrolidin-1-yl}-3-quinolin-3-yl-propionic acid
CID 11753914
5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
CID 645406
1-[4-Methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione
CID 3239397
(3S)-3-(3,5-dimethylphenyl)-4-oxo-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 162643453
(3S)-4-[methyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-4-oxo-3-phenylbutanoic acid
CID 162650474
(3S)-3-(3-methylphenyl)-4-oxo-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 162657229
(3S)-4-oxo-3-(3-prop-1-en-2-ylphenyl)-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 162670323
(3S)-4-oxo-3-phenyl-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 162677205
6-[4-(4-Phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 660299
US11584748, Example 15
CID 146198254
3-(2-Methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-3-carboxylic acid
CID 56746420

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72934839) is 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(c1ccc3ccccc3n1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is DOVDVBGMVYZIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-17(23)12-14(18(24)25)19(21)8-10-22(11-9-19)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,24,25).
What are the key properties of 1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.14, 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-quinolin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72934839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).