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

C23H22N2O3 — CID 3237707

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H22N2O3/c26-22(25-12-10-23(11-13-25)27-14-15-28-23)19-16-21(17-6-2-1-3-7-17)24-20-9-5-4-8-18(19)20/h1-9,16H,10-15H2
InChIKeyRWTQLBCLTRYZHB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.88
Rot. Bonds2

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone (PubChem CID 3237707) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone
PubChem CID3237707
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H22N2O3/c26-22(25-12-10-23(11-13-25)27-14-15-28-23)19-16-21(17-6-2-1-3-7-17)24-20-9-5-4-8-18(19)20/h1-9,16H,10-15H2
InChIKeyRWTQLBCLTRYZHB-UHFFFAOYSA-N
XLogP3.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(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-(2-phenylquinolin-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone (CID 3237707) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone?
The InChIKey is RWTQLBCLTRYZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(25-12-10-23(11-13-25)27-14-15-28-23)19-16-21(17-6-2-1-3-7-17)24-20-9-5-4-8-18(19)20/h1-9,16H,10-15H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-phenylquinolin-4-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.88, 2 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-(2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 3237707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).