2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide

C20H19N3O3S — CID 17099334

IUPAC2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c(OC)c1
InChIInChI=1S/C20H19N3O3S/c1-12-7-9-14-16(21-12)5-4-6-17(14)22-20(27)23-19(24)15-10-8-13(25-2)11-18(15)26-3/h4-11H,1-3H3,(H2,22,23,24,27)
InChIKeyUMAYKNOVMNJVQC-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.69
Rot. Bonds4

About 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide

2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide (PubChem CID 17099334) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
PubChem CID17099334
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c(OC)c1
InChIInChI=1S/C20H19N3O3S/c1-12-7-9-14-16(21-12)5-4-6-17(14)22-20(27)23-19(24)15-10-8-13(25-2)11-18(15)26-3/h4-11H,1-3H3,(H2,22,23,24,27)
InChIKeyUMAYKNOVMNJVQC-UHFFFAOYSA-N
XLogP3.69
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide 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

3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17335812
N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17313819
N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propoxybenzamide
CID 17018382
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17274760
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17098957
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313480
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 834971
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide (CID 17099334) is 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The InChIKey is UMAYKNOVMNJVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-7-9-14-16(21-12)5-4-6-17(14)22-20(27)23-19(24)15-10-8-13(25-2)11-18(15)26-3/h4-11H,1-3H3,(H2,22,23,24,27).
What are the key properties of 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 17099334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).