[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C20H21N3OS — CID 60526988

IUPAC[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)s1
InChIInChI=1S/C20H21N3OS/c1-14-13-19(21-17-6-4-3-5-16(14)17)22-9-11-23(12-10-22)20(24)18-8-7-15(2)25-18/h3-8,13H,9-12H2,1-2H3
InChIKeyBFHUUEBUELHTDV-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.88
Rot. Bonds2

About [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 60526988) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID60526988
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)s1
InChIInChI=1S/C20H21N3OS/c1-14-13-19(21-17-6-4-3-5-16(14)17)22-9-11-23(12-10-22)20(24)18-8-7-15(2)25-18/h3-8,13H,9-12H2,1-2H3
InChIKeyBFHUUEBUELHTDV-UHFFFAOYSA-N
XLogP3.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 29096210
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 100759265
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 60526988) is [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)s1.
What is the InChIKey of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is BFHUUEBUELHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-13-19(21-17-6-4-3-5-16(14)17)22-9-11-23(12-10-22)20(24)18-8-7-15(2)25-18/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 351.48 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 60526988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).