1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione

C12H14N4O2 — CID 23456628

IUPAC1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione
SMILESCCN1CCC2(NC(=O)NC2=O)c2cccnc21
InChIInChI=1S/C12H14N4O2/c1-2-16-7-5-12(10(17)14-11(18)15-12)8-4-3-6-13-9(8)16/h3-4,6H,2,5,7H2,1H3,(H2,14,15,17,18)
InChIKeyQLWWAGCRRBZKLG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.35
Rot. Bonds1

About 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione

1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione (PubChem CID 23456628) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione
PubChem CID23456628
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione
SMILESCCN1CCC2(NC(=O)NC2=O)c2cccnc21
InChIInChI=1S/C12H14N4O2/c1-2-16-7-5-12(10(17)14-11(18)15-12)8-4-3-6-13-9(8)16/h3-4,6H,2,5,7H2,1H3,(H2,14,15,17,18)
InChIKeyQLWWAGCRRBZKLG-UHFFFAOYSA-N
XLogP0.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione (CID 23456628) is 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione is CCN1CCC2(NC(=O)NC2=O)c2cccnc21.
What is the InChIKey of 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is QLWWAGCRRBZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-16-7-5-12(10(17)14-11(18)15-12)8-4-3-6-13-9(8)16/h3-4,6H,2,5,7H2,1H3,(H2,14,15,17,18).
What are the key properties of 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione?
1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 246.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[2,3-dihydro-1,8-naphthyridine-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 23456628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).