2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol

C22H27N3OS — CID 95869483

IUPAC2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc2cc(CN3CCN(C)[C@H](CCO)C3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H27N3OS/c1-16-5-6-17-13-18(14-25-9-8-24(2)19(15-25)7-10-26)22(23-20(17)12-16)21-4-3-11-27-21/h3-6,11-13,19,26H,7-10,14-15H2,1-2H3/t19-/m1/s1
InChIKeyRVLXILOWCVRNJJ-LJQANCHMSA-N
MW381.55 g/mol
LogP3.77
Rot. Bonds5

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

2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 95869483) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID95869483
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc2cc(CN3CCN(C)[C@H](CCO)C3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H27N3OS/c1-16-5-6-17-13-18(14-25-9-8-24(2)19(15-25)7-10-26)22(23-20(17)12-16)21-4-3-11-27-21/h3-6,11-13,19,26H,7-10,14-15H2,1-2H3/t19-/m1/s1
InChIKeyRVLXILOWCVRNJJ-LJQANCHMSA-N
XLogP3.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
CID 70728187
[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 70762977
4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
CID 70747093
2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol
CID 29088518
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30725006
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51907458
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[4-[(2,8-dimethylquinolin-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 154891430
(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide
CID 95880650
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol (CID 95869483) is 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc2cc(CN3CCN(C)[C@H](CCO)C3)c(-c3cccs3)nc2c1.
What is the InChIKey of 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is RVLXILOWCVRNJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-16-5-6-17-13-18(14-25-9-8-24(2)19(15-25)7-10-26)22(23-20(17)12-16)21-4-3-11-27-21/h3-6,11-13,19,26H,7-10,14-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 381.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 95869483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).