1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one

C21H23N3O3 — CID 97401389

IUPAC1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESO=C(c1ccno1)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C21H23N3O3/c25-19-13-21(8-11-23(12-9-21)20(26)18-7-10-22-27-18)16-3-1-2-4-17(16)24(19)14-15-5-6-15/h1-4,7,10,15H,5-6,8-9,11-14H2
InChIKeyPTJQEFPJVOLBFS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.00
Rot. Bonds3

About 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one

1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (PubChem CID 97401389) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
PubChem CID97401389
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESO=C(c1ccno1)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C21H23N3O3/c25-19-13-21(8-11-23(12-9-21)20(26)18-7-10-22-27-18)16-3-1-2-4-17(16)24(19)14-15-5-6-15/h1-4,7,10,15H,5-6,8-9,11-14H2
InChIKeyPTJQEFPJVOLBFS-UHFFFAOYSA-N
XLogP3.00
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one 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 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (CID 97401389) is 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is O=C(c1ccno1)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The InChIKey is PTJQEFPJVOLBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-13-21(8-11-23(12-9-21)20(26)18-7-10-22-27-18)16-3-1-2-4-17(16)24(19)14-15-5-6-15/h1-4,7,10,15H,5-6,8-9,11-14H2.
What are the key properties of 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 97401389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).