N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide

C19H17N3O2S — CID 16740405

IUPACN-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)COc3ccccc3)c2n1
InChIInChI=1S/C19H17N3O2S/c1-13-10-11-14-6-5-9-16(18(14)20-13)21-19(25)22-17(23)12-24-15-7-3-2-4-8-15/h2-11H,12H2,1H3,(H2,21,22,23,25)
InChIKeyBATQVKQQFLBGFO-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide

N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide (PubChem CID 16740405) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide
PubChem CID16740405
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)COc3ccccc3)c2n1
InChIInChI=1S/C19H17N3O2S/c1-13-10-11-14-6-5-9-16(18(14)20-13)21-19(25)22-17(23)12-24-15-7-3-2-4-8-15/h2-11H,12H2,1H3,(H2,21,22,23,25)
InChIKeyBATQVKQQFLBGFO-UHFFFAOYSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17012818
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 884926
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 62954623
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
CID 778896
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide (CID 16740405) is N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide is Cc1ccc2cccc(NC(=S)NC(=O)COc3ccccc3)c2n1.
What is the InChIKey of N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide?
The InChIKey is BATQVKQQFLBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-10-11-14-6-5-9-16(18(14)20-13)21-19(25)22-17(23)12-24-15-7-3-2-4-8-15/h2-11H,12H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide?
N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide is sourced from PubChem (CID 16740405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).