1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

C19H19N3O2S — CID 50749451

IUPAC1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCSc1cccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C19H19N3O2S/c1-22(19(24)20-14-6-5-7-15(11-14)25-2)12-13-10-18(23)21-17-9-4-3-8-16(13)17/h3-11H,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFZRLBZSRGOYJQB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.91
Rot. Bonds4

About 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (PubChem CID 50749451) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
PubChem CID50749451
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCSc1cccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C19H19N3O2S/c1-22(19(24)20-14-6-5-7-15(11-14)25-2)12-13-10-18(23)21-17-9-4-3-8-16(13)17/h3-11H,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFZRLBZSRGOYJQB-UHFFFAOYSA-N
XLogP3.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
4-[methyl-[(3-methylsulfanylphenyl)carbamoyl]amino]butanoic acid
CID 43329736
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 72919468
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 7555926
3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749499
3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749407
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 118793922
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea
CID 50749471
N-[(3-methylsulfanylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 1302090

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (CID 50749451) is 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is CSc1cccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The InChIKey is FZRLBZSRGOYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22(19(24)20-14-6-5-7-15(11-14)25-2)12-13-10-18(23)21-17-9-4-3-8-16(13)17/h3-11H,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea has a molecular weight of 353.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 50749451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).