1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea

C20H19F3N4O2 — CID 71237021

IUPAC1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
SMILESCC(C)Oc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H19F3N4O2/c1-12(2)29-18-13(8-9-17(27-18)20(21,22)23)11-25-19(28)26-16-7-3-6-15-14(16)5-4-10-24-15/h3-10,12H,11H2,1-2H3,(H2,25,26,28)
InChIKeyNBTXLPYUUNXXFY-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.76
Rot. Bonds5

About 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea

1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea (PubChem CID 71237021) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea.

Molecular Properties

Compound Name1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
PubChem CID71237021
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
SMILESCC(C)Oc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H19F3N4O2/c1-12(2)29-18-13(8-9-17(27-18)20(21,22)23)11-25-19(28)26-16-7-3-6-15-14(16)5-4-10-24-15/h3-10,12H,11H2,1-2H3,(H2,25,26,28)
InChIKeyNBTXLPYUUNXXFY-UHFFFAOYSA-N
XLogP4.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea with MolForge

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Related Compounds

1-(2-propan-2-yloxy-3-pyridinyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112835406
1-[[2-(2,2-dimethylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1H-indazol-4-yl)urea
CID 46890522
1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-3-quinolin-5-ylurea
CID 71238015
1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 46890519
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112836013
1-(1-chloroisoquinolin-5-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71513609
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
2-[4-[amino(methylsulfonyl)methyl]-3-fluorophenyl]-N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89454819

Frequently Asked Questions

What is the IUPAC name of 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea?
The IUPAC name of 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea (CID 71237021) is 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea.
What is the SMILES notation for 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea?
The canonical SMILES for 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea is CC(C)Oc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea?
The InChIKey is NBTXLPYUUNXXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12(2)29-18-13(8-9-17(27-18)20(21,22)23)11-25-19(28)26-16-7-3-6-15-14(16)5-4-10-24-15/h3-10,12H,11H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea?
1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea has a molecular weight of 404.39 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea is sourced from PubChem (CID 71237021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).