(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C25H23N3OS — CID 46383049

IUPAC(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2cccc(-c3cccs3)c2n1
InChIInChI=1S/C25H23N3OS/c1-18-17-22(20-9-5-10-21(24(20)26-18)23-11-6-16-30-23)25(29)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h2-11,16-17H,12-15H2,1H3
InChIKeyBFSWMTOKAGBRNX-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.23
Rot. Bonds3

About (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 46383049) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID46383049
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2cccc(-c3cccs3)c2n1
InChIInChI=1S/C25H23N3OS/c1-18-17-22(20-9-5-10-21(24(20)26-18)23-11-6-16-30-23)25(29)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h2-11,16-17H,12-15H2,1H3
InChIKeyBFSWMTOKAGBRNX-UHFFFAOYSA-N
XLogP5.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
CID 162654911
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
CID 162644748
(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone
CID 50788828
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone
CID 53036756
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
4-[4-(2-thiophen-2-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720795
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354

Frequently Asked Questions

What is the IUPAC name of (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 46383049) is (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2cccc(-c3cccs3)c2n1.
What is the InChIKey of (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BFSWMTOKAGBRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-18-17-22(20-9-5-10-21(24(20)26-18)23-11-6-16-30-23)25(29)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h2-11,16-17H,12-15H2,1H3.
What are the key properties of (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 413.55 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46383049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).