1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea

C18H19N3O3S — CID 86884660

IUPAC1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCOc1ccc2cc(NC(=O)N(CCO)Cc3ccsc3)ccc2n1
InChIInChI=1S/C18H19N3O3S/c1-24-17-5-2-14-10-15(3-4-16(14)20-17)19-18(23)21(7-8-22)11-13-6-9-25-12-13/h2-6,9-10,12,22H,7-8,11H2,1H3,(H,19,23)
InChIKeyPKRAEVHCNSJQLR-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.33
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea

1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 86884660) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea
PubChem CID86884660
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCOc1ccc2cc(NC(=O)N(CCO)Cc3ccsc3)ccc2n1
InChIInChI=1S/C18H19N3O3S/c1-24-17-5-2-14-10-15(3-4-16(14)20-17)19-18(23)21(7-8-22)11-13-6-9-25-12-13/h2-6,9-10,12,22H,7-8,11H2,1H3,(H,19,23)
InChIKeyPKRAEVHCNSJQLR-UHFFFAOYSA-N
XLogP3.33
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea (CID 86884660) is 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea is COc1ccc2cc(NC(=O)N(CCO)Cc3ccsc3)ccc2n1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is PKRAEVHCNSJQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-24-17-5-2-14-10-15(3-4-16(14)20-17)19-18(23)21(7-8-22)11-13-6-9-25-12-13/h2-6,9-10,12,22H,7-8,11H2,1H3,(H,19,23).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea?
1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 357.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 86884660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).