1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone

C22H24N2O3S2 — CID 176571803

IUPAC1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone
SMILESCOc1ccc2c(SCC(=O)c3ccc(C4(O)CCN(C)CC4)s3)ccnc2c1
InChIInChI=1S/C22H24N2O3S2/c1-24-11-8-22(26,9-12-24)21-6-5-20(29-21)18(25)14-28-19-7-10-23-17-13-15(27-2)3-4-16(17)19/h3-7,10,13,26H,8-9,11-12,14H2,1-2H3
InChIKeyBSZMZWWOPGPDOI-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.19
Rot. Bonds6

About 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone

1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone (PubChem CID 176571803) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone
PubChem CID176571803
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone
SMILESCOc1ccc2c(SCC(=O)c3ccc(C4(O)CCN(C)CC4)s3)ccnc2c1
InChIInChI=1S/C22H24N2O3S2/c1-24-11-8-22(26,9-12-24)21-6-5-20(29-21)18(25)14-28-19-7-10-23-17-13-15(27-2)3-4-16(17)19/h3-7,10,13,26H,8-9,11-12,14H2,1-2H3
InChIKeyBSZMZWWOPGPDOI-UHFFFAOYSA-N
XLogP4.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylethanone
CID 176571808
2-hydroxy-1-[4-hydroxy-4-[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]piperidin-1-yl]ethanone
CID 176571650
1-[5-(3-hydroxy-1-propan-2-ylazetidin-3-yl)thiophen-2-yl]-2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylethanone
CID 176571784
1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone
CID 18790572
1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]sulfanylethanone
CID 176571849
1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-quinolin-4-ylsulfanylethanone
CID 18790583
2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone
CID 157041033
7-methoxy-4-phenylsulfanylquinoline
CID 59598389
(2S)-2-hydroxy-1-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-2-[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]propan-1-one
CID 178131047
1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-(7-methoxyquinolin-4-yl)ethanol
CID 167284408
2-(6-methoxy-2-methylquinazolin-4-yl)sulfanyl-1-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]thiophen-2-yl]ethanone
CID 176571766
1-[5-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]thiophen-2-yl]-2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylethanone
CID 176571799

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
The IUPAC name of 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone (CID 176571803) is 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone is COc1ccc2c(SCC(=O)c3ccc(C4(O)CCN(C)CC4)s3)ccnc2c1.
What is the InChIKey of 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
The InChIKey is BSZMZWWOPGPDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-24-11-8-22(26,9-12-24)21-6-5-20(29-21)18(25)14-28-19-7-10-23-17-13-15(27-2)3-4-16(17)19/h3-7,10,13,26H,8-9,11-12,14H2,1-2H3.
What are the key properties of 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone has a molecular weight of 428.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(7-methoxyquinolin-4-yl)sulfanylethanone is sourced from PubChem (CID 176571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).