1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea

C23H15ClF3N3O2 — CID 25231072

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H15ClF3N3O2/c24-19-10-7-15(13-18(19)23(25,26)27)30-22(31)29-14-5-8-16(9-6-14)32-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H2,29,30,31)
InChIKeyZICHREYMVHGCBB-UHFFFAOYSA-N
MW457.84 g/mol
LogP7.34
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea (PubChem CID 25231072) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea
PubChem CID25231072
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H15ClF3N3O2/c24-19-10-7-15(13-18(19)23(25,26)27)30-22(31)29-14-5-8-16(9-6-14)32-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H2,29,30,31)
InChIKeyZICHREYMVHGCBB-UHFFFAOYSA-N
XLogP7.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea (CID 25231072) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea is O=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea?
The InChIKey is ZICHREYMVHGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-19-10-7-15(13-18(19)23(25,26)27)30-22(31)29-14-5-8-16(9-6-14)32-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H2,29,30,31).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea has a molecular weight of 457.84 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea is sourced from PubChem (CID 25231072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).