(7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

C17H21N3O2 — CID 69054085

IUPAC(7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCCC1C=CC2=C(C=C3C[C@]4(CC3C2)C(=O)NC(=O)N4C)N1
InChIInChI=1S/C17H21N3O2/c1-3-13-5-4-10-6-11-8-17(9-12(11)7-14(10)18-13)15(21)19-16(22)20(17)2/h4-5,7,11,13,18H,3,6,8-9H2,1-2H3,(H,19,21,22)/t11?,13?,17-/m1/s1
InChIKeyQVJVTCVVNXUUFW-FWXSHLFISA-N
MW299.37 g/mol
LogP1.84
Rot. Bonds1

About (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

(7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (PubChem CID 69054085) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
PubChem CID69054085
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCCC1C=CC2=C(C=C3C[C@]4(CC3C2)C(=O)NC(=O)N4C)N1
InChIInChI=1S/C17H21N3O2/c1-3-13-5-4-10-6-11-8-17(9-12(11)7-14(10)18-13)15(21)19-16(22)20(17)2/h4-5,7,11,13,18H,3,6,8-9H2,1-2H3,(H,19,21,22)/t11?,13?,17-/m1/s1
InChIKeyQVJVTCVVNXUUFW-FWXSHLFISA-N
XLogP1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (CID 69054085) is (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is CCC1C=CC2=C(C=C3C[C@]4(CC3C2)C(=O)NC(=O)N4C)N1.
What is the InChIKey of (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The InChIKey is QVJVTCVVNXUUFW-FWXSHLFISA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-13-5-4-10-6-11-8-17(9-12(11)7-14(10)18-13)15(21)19-16(22)20(17)2/h4-5,7,11,13,18H,3,6,8-9H2,1-2H3,(H,19,21,22)/t11?,13?,17-/m1/s1.
What are the key properties of (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
(7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione has a molecular weight of 299.37 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-ethyl-1'-methylspiro[1,2,5,5a,6,8-hexahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 69054085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).