3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol

C22H27N3OS — CID 70728187

IUPAC3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
SMILESCc1ccc2cc(CN3CCN(CCCO)CC3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H27N3OS/c1-17-5-6-18-15-19(16-25-10-8-24(9-11-25)7-3-12-26)22(23-20(18)14-17)21-4-2-13-27-21/h2,4-6,13-15,26H,3,7-12,16H2,1H3
InChIKeyDPOMZMMCAJLZND-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.77
Rot. Bonds6

About 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol

3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol (PubChem CID 70728187) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
PubChem CID70728187
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
SMILESCc1ccc2cc(CN3CCN(CCCO)CC3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H27N3OS/c1-17-5-6-18-15-19(16-25-10-8-24(9-11-25)7-3-12-26)22(23-20(18)14-17)21-4-2-13-27-21/h2,4-6,13-15,26H,3,7-12,16H2,1H3
InChIKeyDPOMZMMCAJLZND-UHFFFAOYSA-N
XLogP3.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol with MolForge

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Related Compounds

4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
CID 70747093
2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
CID 95869483
[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 70762977
1-(2,5-dimethylphenyl)-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butane-1,4-dione
CID 30126615
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
CID 155514521
1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 70781851
4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol
CID 44552504
6-[(2,4-dimethylphenyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928690

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol (CID 70728187) is 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol is Cc1ccc2cc(CN3CCN(CCCO)CC3)c(-c3cccs3)nc2c1.
What is the InChIKey of 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol?
The InChIKey is DPOMZMMCAJLZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-17-5-6-18-15-19(16-25-10-8-24(9-11-25)7-3-12-26)22(23-20(18)14-17)21-4-2-13-27-21/h2,4-6,13-15,26H,3,7-12,16H2,1H3.
What are the key properties of 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol?
3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol has a molecular weight of 381.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 70728187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).