1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea

C17H15N3O2 — CID 22745166

IUPAC1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C17H15N3O2/c1-11-9-16(14-7-2-3-8-15(14)18-11)20-17(22)19-12-5-4-6-13(21)10-12/h2-10,21H,1H3,(H2,18,19,20,22)
InChIKeyJOTMLYFNAICCPR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.89
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea

1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 22745166) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID22745166
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C17H15N3O2/c1-11-9-16(14-7-2-3-8-15(14)18-11)20-17(22)19-12-5-4-6-13(21)10-12/h2-10,21H,1H3,(H2,18,19,20,22)
InChIKeyJOTMLYFNAICCPR-UHFFFAOYSA-N
XLogP3.89
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea (CID 22745166) is 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2cccc(O)c2)c2ccccc2n1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is JOTMLYFNAICCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-9-16(14-7-2-3-8-15(14)18-11)20-17(22)19-12-5-4-6-13(21)10-12/h2-10,21H,1H3,(H2,18,19,20,22).
What are the key properties of 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea?
1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 293.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 22745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).