1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea

C19H16F3N3O2 — CID 112975894

IUPAC1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCOc1ccc2ncccc2c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-4-1-5-15(12-14)25-18(26)24-9-10-27-16-6-7-17-13(11-16)3-2-8-23-17/h1-8,11-12H,9-10H2,(H2,24,25,26)
InChIKeyZHOWVZVIKIADSA-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.45
Rot. Bonds5

About 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 112975894) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID112975894
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCOc1ccc2ncccc2c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-4-1-5-15(12-14)25-18(26)24-9-10-27-16-6-7-17-13(11-16)3-2-8-23-17/h1-8,11-12H,9-10H2,(H2,24,25,26)
InChIKeyZHOWVZVIKIADSA-UHFFFAOYSA-N
XLogP4.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406
1-(1,3-benzodioxol-5-yl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975914
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112973376
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112970275
1-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90556420

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 112975894) is 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCCOc1ccc2ncccc2c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZHOWVZVIKIADSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)14-4-1-5-15(12-14)25-18(26)24-9-10-27-16-6-7-17-13(11-16)3-2-8-23-17/h1-8,11-12H,9-10H2,(H2,24,25,26).
What are the key properties of 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 375.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 112975894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).