N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C22H32Cl2N4O2 — CID 154895054

IUPACN-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCOc1ccc(CN(C)C(=O)C2CC3(CCNCC3)CN2C)c2cccnc12.Cl.Cl
InChIInChI=1S/C22H30N4O2.2ClH/c1-25(14-16-6-7-19(28-3)20-17(16)5-4-10-24-20)21(27)18-13-22(15-26(18)2)8-11-23-12-9-22;;/h4-7,10,18,23H,8-9,11-15H2,1-3H3;2*1H
InChIKeyGVYGYAYHTYJYGV-UHFFFAOYSA-N
MW455.43 g/mol
LogP3.12
Rot. Bonds4

About N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154895054) has the molecular formula C22H32Cl2N4O2 and a molecular weight of 455.43 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
PubChem CID154895054
Molecular FormulaC22H32Cl2N4O2
Molecular Weight455.43 g/mol
Exact Mass454.19
IUPAC NameN-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCOc1ccc(CN(C)C(=O)C2CC3(CCNCC3)CN2C)c2cccnc12.Cl.Cl
InChIInChI=1S/C22H30N4O2.2ClH/c1-25(14-16-6-7-19(28-3)20-17(16)5-4-10-24-20)21(27)18-13-22(15-26(18)2)8-11-23-12-9-22;;/h4-7,10,18,23H,8-9,11-15H2,1-3H3;2*1H
InChIKeyGVYGYAYHTYJYGV-UHFFFAOYSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881783
3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 122568329
(3R)-N,2-dimethyl-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874258
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95880976
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893810
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74235153
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56897862
(3R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871864
(3R)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95896718
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154895054) is N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is COc1ccc(CN(C)C(=O)C2CC3(CCNCC3)CN2C)c2cccnc12.Cl.Cl.
What is the InChIKey of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The InChIKey is GVYGYAYHTYJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.2ClH/c1-25(14-16-6-7-19(28-3)20-17(16)5-4-10-24-20)21(27)18-13-22(15-26(18)2)8-11-23-12-9-22;;/h4-7,10,18,23H,8-9,11-15H2,1-3H3;2*1H.
What are the key properties of N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 455.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154895054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).