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

C17H17N3O3 — CID 87672451

IUPAC(7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)C1=CC=C2CC3=C(C=C2N1)C[C@]1(C3)C(=O)NC(=O)N1C
InChIInChI=1S/C17H17N3O3/c1-9(21)13-4-3-10-5-11-7-17(8-12(11)6-14(10)18-13)15(22)19-16(23)20(17)2/h3-4,6,18H,5,7-8H2,1-2H3,(H,19,22,23)/t17-/m1/s1
InChIKeyCVCYZULAOMIRJS-QGZVFWFLSA-N
MW311.34 g/mol
LogP1.29
Rot. Bonds1

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

(7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (PubChem CID 87672451) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
PubChem CID87672451
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)C1=CC=C2CC3=C(C=C2N1)C[C@]1(C3)C(=O)NC(=O)N1C
InChIInChI=1S/C17H17N3O3/c1-9(21)13-4-3-10-5-11-7-17(8-12(11)6-14(10)18-13)15(22)19-16(23)20(17)2/h3-4,6,18H,5,7-8H2,1-2H3,(H,19,22,23)/t17-/m1/s1
InChIKeyCVCYZULAOMIRJS-QGZVFWFLSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[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-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (CID 87672451) is (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is CC(=O)C1=CC=C2CC3=C(C=C2N1)C[C@]1(C3)C(=O)NC(=O)N1C.
What is the InChIKey of (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The InChIKey is CVCYZULAOMIRJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-9(21)13-4-3-10-5-11-7-17(8-12(11)6-14(10)18-13)15(22)19-16(23)20(17)2/h3-4,6,18H,5,7-8H2,1-2H3,(H,19,22,23)/t17-/m1/s1.
What are the key properties of (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
(7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione has a molecular weight of 311.34 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-acetyl-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 87672451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).