1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione

C16H13N3O3S — CID 110711491

IUPAC1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cccs3)c3ccccc32)N1
InChIInChI=1S/C16H13N3O3S/c20-13(12-6-3-9-23-12)19-8-7-16(14(21)17-15(22)18-16)10-4-1-2-5-11(10)19/h1-6,9H,7-8H2,(H2,17,18,21,22)
InChIKeyBRHYBZWNHVQBQE-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.83
Rot. Bonds1

About 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione

1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione (PubChem CID 110711491) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione
PubChem CID110711491
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cccs3)c3ccccc32)N1
InChIInChI=1S/C16H13N3O3S/c20-13(12-6-3-9-23-12)19-8-7-16(14(21)17-15(22)18-16)10-4-1-2-5-11(10)19/h1-6,9H,7-8H2,(H2,17,18,21,22)
InChIKeyBRHYBZWNHVQBQE-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 658113
CID 658113
CID 724147
CID 724147
CID 3447676
CID 3447676
CID 44591930
CID 44591930
CID 98812
CID 98812
CID 16376051
CID 16376051
CID 647507
CID 647507
CID 4781530
CID 4781530
CID 300571
CID 300571
CID 866389
CID 866389
CID 71625537
CID 71625537
CID 611733
CID 611733

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione (CID 110711491) is 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCN(C(=O)c3cccs3)c3ccccc32)N1.
What is the InChIKey of 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is BRHYBZWNHVQBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-13(12-6-3-9-23-12)19-8-7-16(14(21)17-15(22)18-16)10-4-1-2-5-11(10)19/h1-6,9H,7-8H2,(H2,17,18,21,22).
What are the key properties of 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione?
1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 327.37 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)spiro[2,3-dihydroquinoline-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 110711491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).