[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol

C21H25N3O2S — CID 70762977

IUPAC[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
SMILESCOc1ccc2cc(CN3CCN(C)C(CO)C3)c(-c3cccs3)nc2c1
InChIInChI=1S/C21H25N3O2S/c1-23-7-8-24(13-17(23)14-25)12-16-10-15-5-6-18(26-2)11-19(15)22-21(16)20-4-3-9-27-20/h3-6,9-11,17,25H,7-8,12-14H2,1-2H3
InChIKeyUPDWHJAKTGEFKK-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.08
Rot. Bonds5

About [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol

[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 70762977) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
PubChem CID70762977
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
SMILESCOc1ccc2cc(CN3CCN(C)C(CO)C3)c(-c3cccs3)nc2c1
InChIInChI=1S/C21H25N3O2S/c1-23-7-8-24(13-17(23)14-25)12-16-10-15-5-6-18(26-2)11-19(15)22-21(16)20-4-3-9-27-20/h3-6,9-11,17,25H,7-8,12-14H2,1-2H3
InChIKeyUPDWHJAKTGEFKK-UHFFFAOYSA-N
XLogP3.08
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
CID 95869483
3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
CID 70728187
4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
CID 70747093
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
[(2S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 70732351
(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95862955
2-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 45231377
4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70738695
7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
CID 62177692
4-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136766179
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782

Frequently Asked Questions

What is the IUPAC name of [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol (CID 70762977) is [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol is COc1ccc2cc(CN3CCN(C)C(CO)C3)c(-c3cccs3)nc2c1.
What is the InChIKey of [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is UPDWHJAKTGEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-23-7-8-24(13-17(23)14-25)12-16-10-15-5-6-18(26-2)11-19(15)22-21(16)20-4-3-9-27-20/h3-6,9-11,17,25H,7-8,12-14H2,1-2H3.
What are the key properties of [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol?
[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 383.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 70762977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).