3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride

C20H26ClN3O2 — CID 154885407

IUPAC3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N1CCC3(CCCNC3)C1)cn2C.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14-4-5-17-15(10-14)18(24)16(11-22(17)2)19(25)23-9-7-20(13-23)6-3-8-21-12-20;/h4-5,10-11,21H,3,6-9,12-13H2,1-2H3;1H
InChIKeyLHZMLZZKFUWUHU-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.48
Rot. Bonds1

About 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride

3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride (PubChem CID 154885407) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
PubChem CID154885407
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N1CCC3(CCCNC3)C1)cn2C.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14-4-5-17-15(10-14)18(24)16(11-22(17)2)19(25)23-9-7-20(13-23)6-3-8-21-12-20;/h4-5,10-11,21H,3,6-9,12-13H2,1-2H3;1H
InChIKeyLHZMLZZKFUWUHU-UHFFFAOYSA-N
XLogP2.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride 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 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride?
The IUPAC name of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride (CID 154885407) is 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride.
What is the SMILES notation for 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride?
The canonical SMILES for 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride is Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC3(CCCNC3)C1)cn2C.Cl.
What is the InChIKey of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride?
The InChIKey is LHZMLZZKFUWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-14-4-5-17-15(10-14)18(24)16(11-22(17)2)19(25)23-9-7-20(13-23)6-3-8-21-12-20;/h4-5,10-11,21H,3,6-9,12-13H2,1-2H3;1H.
What are the key properties of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride?
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride is sourced from PubChem (CID 154885407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).