cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone

C23H23N3O2S — CID 56510738

IUPACcyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C23H23N3O2S/c27-22(16-5-3-6-16)25-10-12-26(13-11-25)23(28)18-15-20(21-9-4-14-29-21)24-19-8-2-1-7-17(18)19/h1-2,4,7-9,14-16H,3,5-6,10-13H2
InChIKeyHOTCUMKLFZLUHW-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.05
Rot. Bonds3

About cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone

cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 56510738) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
PubChem CID56510738
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Namecyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C23H23N3O2S/c27-22(16-5-3-6-16)25-10-12-26(13-11-25)23(28)18-15-20(21-9-4-14-29-21)24-19-8-2-1-7-17(18)19/h1-2,4,7-9,14-16H,3,5-6,10-13H2
InChIKeyHOTCUMKLFZLUHW-UHFFFAOYSA-N
XLogP4.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)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

[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
4-[4-(2-thiophen-2-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720795
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 43981742
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone (CID 56510738) is cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is HOTCUMKLFZLUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-22(16-5-3-6-16)25-10-12-26(13-11-25)23(28)18-15-20(21-9-4-14-29-21)24-19-8-2-1-7-17(18)19/h1-2,4,7-9,14-16H,3,5-6,10-13H2.
What are the key properties of cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 405.52 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56510738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).