1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone

C26H33N3O — CID 108731208

IUPAC1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2c(C)cccc12
InChIInChI=1S/C26H33N3O/c1-17-4-3-5-22-18(2)10-23(27-24(17)22)28-6-8-29(9-7-28)25(30)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-5,10,19-21H,6-9,11-16H2,1-2H3
InChIKeyKFHKJJIKOPOIMU-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.72
Rot. Bonds2

About 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone

1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108731208) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108731208
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2c(C)cccc12
InChIInChI=1S/C26H33N3O/c1-17-4-3-5-22-18(2)10-23(27-24(17)22)28-6-8-29(9-7-28)25(30)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-5,10,19-21H,6-9,11-16H2,1-2H3
InChIKeyKFHKJJIKOPOIMU-UHFFFAOYSA-N
XLogP4.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-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

Related Compounds

(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339971
1-(3,4-dimethylphenyl)-4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108731269
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
1-adamantyl-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 2941646
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 108754718

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone (CID 108731208) is 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2c(C)cccc12.
What is the InChIKey of 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is KFHKJJIKOPOIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-17-4-3-5-22-18(2)10-23(27-24(17)22)28-6-8-29(9-7-28)25(30)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-5,10,19-21H,6-9,11-16H2,1-2H3.
What are the key properties of 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone?
1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 403.57 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108731208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).