N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide

C19H18N2O2S — CID 975948

IUPACN-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CCSc1cccc2cccnc12
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-3-2-8-15(16)21-18(22)11-13-24-17-10-4-6-14-7-5-12-20-19(14)17/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyVXJBIOGZZWHALT-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.36
Rot. Bonds6

About N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide

N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide (PubChem CID 975948) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide
PubChem CID975948
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CCSc1cccc2cccnc12
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-3-2-8-15(16)21-18(22)11-13-24-17-10-4-6-14-7-5-12-20-19(14)17/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyVXJBIOGZZWHALT-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide (CID 975948) is N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide is COc1ccccc1NC(=O)CCSc1cccc2cccnc12.
What is the InChIKey of N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide?
The InChIKey is VXJBIOGZZWHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-9-3-2-8-15(16)21-18(22)11-13-24-17-10-4-6-14-7-5-12-20-19(14)17/h2-10,12H,11,13H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide?
N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide is sourced from PubChem (CID 975948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).