6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione

C12H13N3O3 — CID 82276062

IUPAC6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CCN2)NC(=O)NC1=O
InChIInChI=1S/C12H13N3O3/c1-18-7-2-3-9-8(6-7)12(4-5-13-9)10(16)14-11(17)15-12/h2-3,6,13H,4-5H2,1H3,(H2,14,15,16,17)
InChIKeySRYLHRWOHZYDNA-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.55
Rot. Bonds1

About 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione

6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione (PubChem CID 82276062) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione
PubChem CID82276062
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CCN2)NC(=O)NC1=O
InChIInChI=1S/C12H13N3O3/c1-18-7-2-3-9-8(6-7)12(4-5-13-9)10(16)14-11(17)15-12/h2-3,6,13H,4-5H2,1H3,(H2,14,15,16,17)
InChIKeySRYLHRWOHZYDNA-UHFFFAOYSA-N
XLogP0.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 15043286
(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 99728181
6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
CID 70585209
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 106701810
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
8-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099183
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione (CID 82276062) is 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CCN2)NC(=O)NC1=O.
What is the InChIKey of 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is SRYLHRWOHZYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-18-7-2-3-9-8(6-7)12(4-5-13-9)10(16)14-11(17)15-12/h2-3,6,13H,4-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione?
6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 247.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 82276062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).