3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C24H25N3O3 — CID 4878980

IUPAC3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C(=O)N1CCCc2ccccc21)N1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C24H25N3O3/c1-16(21(28)26-15-7-11-18-9-3-5-13-20(18)26)27-22(29)24(25-23(27)30)14-6-10-17-8-2-4-12-19(17)24/h2-5,8-9,12-13,16H,6-7,10-11,14-15H2,1H3,(H,25,30)
InChIKeyDENLJLYFLGRLJI-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.14
Rot. Bonds2

About 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 4878980) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID4878980
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C(=O)N1CCCc2ccccc21)N1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C24H25N3O3/c1-16(21(28)26-15-7-11-18-9-3-5-13-20(18)26)27-22(29)24(25-23(27)30)14-6-10-17-8-2-4-12-19(17)24/h2-5,8-9,12-13,16H,6-7,10-11,14-15H2,1H3,(H,25,30)
InChIKeyDENLJLYFLGRLJI-UHFFFAOYSA-N
XLogP3.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione
CID 2708876
(2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
CID 7916507
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
CID 2568044
(4S)-3'-[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 9465795
(4S)-3'-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 9465796
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(2S)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-phenylpropanamide
CID 41155193
(2R)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368211
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405

Frequently Asked Questions

What is the IUPAC name of 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 4878980) is 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is CC(C(=O)N1CCCc2ccccc21)N1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is DENLJLYFLGRLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(21(28)26-15-7-11-18-9-3-5-13-20(18)26)27-22(29)24(25-23(27)30)14-6-10-17-8-2-4-12-19(17)24/h2-5,8-9,12-13,16H,6-7,10-11,14-15H2,1H3,(H,25,30).
What are the key properties of 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 403.48 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4878980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).