[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone

C26H25N3OS — CID 42749891

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
SMILESCc1ccc2nc(-c3ccsc3)cc(C(=O)N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C26H25N3OS/c1-18-7-8-23-21(15-18)22(16-24(27-23)20-9-14-31-17-20)26(30)29-12-10-28(11-13-29)25-6-4-3-5-19(25)2/h3-9,14-17H,10-13H2,1-2H3
InChIKeyKJRDOLOLWDVGGF-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.54
Rot. Bonds3

About [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone (PubChem CID 42749891) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
PubChem CID42749891
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
SMILESCc1ccc2nc(-c3ccsc3)cc(C(=O)N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C26H25N3OS/c1-18-7-8-23-21(15-18)22(16-24(27-23)20-9-14-31-17-20)26(30)29-12-10-28(11-13-29)25-6-4-3-5-19(25)2/h3-9,14-17H,10-13H2,1-2H3
InChIKeyKJRDOLOLWDVGGF-UHFFFAOYSA-N
XLogP5.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42749623
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749888
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
(4-benzylpiperazin-1-yl)-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 3548276
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone (CID 42749891) is [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone is Cc1ccc2nc(-c3ccsc3)cc(C(=O)N3CCN(c4ccccc4C)CC3)c2c1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone?
The InChIKey is KJRDOLOLWDVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c1-18-7-8-23-21(15-18)22(16-24(27-23)20-9-14-31-17-20)26(30)29-12-10-28(11-13-29)25-6-4-3-5-19(25)2/h3-9,14-17H,10-13H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone has a molecular weight of 427.57 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 42749891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).