1-(4-methoxyphenyl)-3-quinolin-8-ylurea

C17H15N3O2 — CID 826843

IUPAC1-(4-methoxyphenyl)-3-quinolin-8-ylurea
SMILESCOc1ccc(NC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)19-17(21)20-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3,(H2,19,20,21)
InChIKeyFGIJPZDUXLSZJI-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-quinolin-8-ylurea

1-(4-methoxyphenyl)-3-quinolin-8-ylurea (PubChem CID 826843) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-quinolin-8-ylurea
PubChem CID826843
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(4-methoxyphenyl)-3-quinolin-8-ylurea
SMILESCOc1ccc(NC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)19-17(21)20-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3,(H2,19,20,21)
InChIKeyFGIJPZDUXLSZJI-UHFFFAOYSA-N
XLogP3.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(4-methoxyphenyl)-3-quinolin-8-ylurea (CID 826843) is 1-(4-methoxyphenyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-quinolin-8-ylurea is COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-quinolin-8-ylurea?
The InChIKey is FGIJPZDUXLSZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)19-17(21)20-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-3-quinolin-8-ylurea?
1-(4-methoxyphenyl)-3-quinolin-8-ylurea has a molecular weight of 293.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).