2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone

C16H18N2O2S — CID 157041033

IUPAC2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone
SMILESCOc1ccc2c(CC(=O)N3CCSCC3)ccnc2c1
InChIInChI=1S/C16H18N2O2S/c1-20-13-2-3-14-12(4-5-17-15(14)11-13)10-16(19)18-6-8-21-9-7-18/h2-5,11H,6-10H2,1H3
InChIKeyZPNHOBOKNQJMSV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.36
Rot. Bonds3

About 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone

2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 157041033) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone
PubChem CID157041033
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone
SMILESCOc1ccc2c(CC(=O)N3CCSCC3)ccnc2c1
InChIInChI=1S/C16H18N2O2S/c1-20-13-2-3-14-12(4-5-17-15(14)11-13)10-16(19)18-6-8-21-9-7-18/h2-5,11H,6-10H2,1H3
InChIKeyZPNHOBOKNQJMSV-UHFFFAOYSA-N
XLogP2.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone 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

2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one
CID 159457139
1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-(7-methoxyquinolin-4-yl)ethanol
CID 167284408
methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
CID 59694298
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
4,7-dimethoxyquinoline
CID 20743716
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
1-[4-[2-(2-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800357
2-imino-6-(7-methoxyquinolin-4-yl)-2λ6-thia-6-azaspiro[3.3]heptane 2-oxide
CID 166561971

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone (CID 157041033) is 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone is COc1ccc2c(CC(=O)N3CCSCC3)ccnc2c1.
What is the InChIKey of 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is ZPNHOBOKNQJMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-13-2-3-14-12(4-5-17-15(14)11-13)10-16(19)18-6-8-21-9-7-18/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone?
2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 302.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 157041033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).