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

C20H25N3O3 — CID 55677623

IUPAC3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc21
InChIInChI=1S/C20H25N3O3/c1-14-9-12-22(16-8-4-3-7-15(14)16)17(24)13-23-18(25)20(21-19(23)26)10-5-2-6-11-20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,26)
InChIKeyOTPJBHGEDFVIDK-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.78
Rot. Bonds2

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

3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55677623) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 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 Name3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55677623
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc21
InChIInChI=1S/C20H25N3O3/c1-14-9-12-22(16-8-4-3-7-15(14)16)17(24)13-23-18(25)20(21-19(23)26)10-5-2-6-11-20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,26)
InChIKeyOTPJBHGEDFVIDK-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.78
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

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
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
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4790412
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 75456510
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119733429
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120

Frequently Asked Questions

What is the IUPAC name of 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 3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55677623) is 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 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 3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc21.
What is the InChIKey of 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 OTPJBHGEDFVIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-9-12-22(16-8-4-3-7-15(14)16)17(24)13-23-18(25)20(21-19(23)26)10-5-2-6-11-20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,26).
What are the key properties of 3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
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 355.44 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 55677623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).