1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea

C19H15N3OS — CID 22745155

IUPAC1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc3sccc3c2)c2ccccc2n1
InChIInChI=1S/C19H15N3OS/c1-12-10-17(15-4-2-3-5-16(15)20-12)22-19(23)21-14-6-7-18-13(11-14)8-9-24-18/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyMZMYFGJCNUBAKE-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.40
Rot. Bonds2

About 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea

1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 22745155) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea
PubChem CID22745155
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc3sccc3c2)c2ccccc2n1
InChIInChI=1S/C19H15N3OS/c1-12-10-17(15-4-2-3-5-16(15)20-12)22-19(23)21-14-6-7-18-13(11-14)8-9-24-18/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyMZMYFGJCNUBAKE-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylsulfanylphenyl)-3-quinolin-4-ylurea
CID 10244831
1-(2-Methylquinolin-4-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 16085855
1-(2-Methylquinolin-4-yl)-3-(4-methylsulfanylphenyl)urea
CID 16085858
N-(4-amino-2-methylquinolin-6-yl)-1-benzothiophene-2-carboxamide
CID 44533455
2-[4-[(3-Ethylphenyl)carbamoylamino]thiophen-2-yl]indole-1-carboxamide
CID 121254613
2-[4-({[(3-methylphenyl)amino]carbonyl}amino)-2-thienyl]-1H-indole-1-carboxamide
CID 121254616
Guanidine, N-(1,1-dimethylethyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thienyl-
CID 3054277
1-(2-Methylquinolin-4-yl)-3-(2-methylsulfanylphenyl)urea
CID 16085898
1-(4-Methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea
CID 45113025
1-[6-(1,3-Benzothiazol-2-ylsulfanyl)hexyl]-3-(2-methylquinolin-4-yl)urea
CID 52942898
N-(4-methylphenyl)-2-thiophen-2-ylquinolin-4-amine;hydrochloride
CID 168272433
N-(2-methylquinolin-4-yl)-2-thiophen-3-ylacetamide
CID 172435007

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea (CID 22745155) is 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2ccc3sccc3c2)c2ccccc2n1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is MZMYFGJCNUBAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-10-17(15-4-2-3-5-16(15)20-12)22-19(23)21-14-6-7-18-13(11-14)8-9-24-18/h2-11H,1H3,(H2,20,21,22,23).
What are the key properties of 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea?
1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 333.42 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 22745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).