8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C22H29N3O3 — CID 55677594

IUPAC8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C)c3ccccc31)C2=O
InChIInChI=1S/C22H29N3O3/c1-3-16-8-11-22(12-9-16)20(27)25(21(28)23-22)14-19(26)24-13-10-15(2)17-6-4-5-7-18(17)24/h4-7,15-16H,3,8-14H2,1-2H3,(H,23,28)
InChIKeyMARMDRXLWCVHCD-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.42
Rot. Bonds3

About 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55677594) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55677594
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C)c3ccccc31)C2=O
InChIInChI=1S/C22H29N3O3/c1-3-16-8-11-22(12-9-16)20(27)25(21(28)23-22)14-19(26)24-13-10-15(2)17-6-4-5-7-18(17)24/h4-7,15-16H,3,8-14H2,1-2H3,(H,23,28)
InChIKeyMARMDRXLWCVHCD-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55677623
8-ethyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7531576
8-methyl-3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170007
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605748
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
(2S,3S)-1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114907
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119733415
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120748655

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55677594) is 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C)c3ccccc31)C2=O.
What is the InChIKey of 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MARMDRXLWCVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-16-8-11-22(12-9-16)20(27)25(21(28)23-22)14-19(26)24-13-10-15(2)17-6-4-5-7-18(17)24/h4-7,15-16H,3,8-14H2,1-2H3,(H,23,28).
What are the key properties of 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 383.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55677594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).