1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone

C25H26N2O3 — CID 4086754

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone
SMILESCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C25H26N2O3/c1-2-19-22(24(28)27-14-12-25(13-15-27)29-16-17-30-25)20-10-6-7-11-21(20)26-23(19)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKeyQGFYBLQIWQLLLU-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.44
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone (PubChem CID 4086754) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone
PubChem CID4086754
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone
SMILESCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C25H26N2O3/c1-2-19-22(24(28)27-14-12-25(13-15-27)29-16-17-30-25)20-10-6-7-11-21(20)26-23(19)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKeyQGFYBLQIWQLLLU-UHFFFAOYSA-N
XLogP4.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone 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 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone (CID 4086754) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone is CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone?
The InChIKey is QGFYBLQIWQLLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-19-22(24(28)27-14-12-25(13-15-27)29-16-17-30-25)20-10-6-7-11-21(20)26-23(19)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone has a molecular weight of 402.49 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-ethyl-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 4086754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).