1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea

C17H12F3N3O2 — CID 67279636

IUPAC1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)Nc1ccc2cccnc2c1O
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)11-5-1-2-6-12(11)22-16(25)23-13-8-7-10-4-3-9-21-14(10)15(13)24/h1-9,24H,(H2,22,23,25)
InChIKeyUDGBLHSTBCRXJB-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.60
Rot. Bonds2

About 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 67279636) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID67279636
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)Nc1ccc2cccnc2c1O
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)11-5-1-2-6-12(11)22-16(25)23-13-8-7-10-4-3-9-21-14(10)15(13)24/h1-9,24H,(H2,22,23,25)
InChIKeyUDGBLHSTBCRXJB-UHFFFAOYSA-N
XLogP4.60
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
CID 101117639
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232908
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
CID 55488501
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
CID 15164362
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 67279636) is 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccccc1C(F)(F)F)Nc1ccc2cccnc2c1O.
What is the InChIKey of 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is UDGBLHSTBCRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)11-5-1-2-6-12(11)22-16(25)23-13-8-7-10-4-3-9-21-14(10)15(13)24/h1-9,24H,(H2,22,23,25).
What are the key properties of 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 347.30 g/mol, XLogP of 4.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 67279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).