[1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea

C17H15F3N4O3 — CID 170702736

IUPAC[1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)C(NC(N)=O)Cc2cccc(Oc3ncccc3C(F)(F)F)c21
InChIInChI=1S/C17H15F3N4O3/c1-24-13-9(8-11(15(24)25)23-16(21)26)4-2-6-12(13)27-14-10(17(18,19)20)5-3-7-22-14/h2-7,11H,8H2,1H3,(H3,21,23,26)
InChIKeyGFACIMFFRLOYSJ-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.45
Rot. Bonds3

About [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea

[1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea (PubChem CID 170702736) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea
PubChem CID170702736
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name[1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)C(NC(N)=O)Cc2cccc(Oc3ncccc3C(F)(F)F)c21
InChIInChI=1S/C17H15F3N4O3/c1-24-13-9(8-11(15(24)25)23-16(21)26)4-2-6-12(13)27-14-10(17(18,19)20)5-3-7-22-14/h2-7,11H,8H2,1H3,(H3,21,23,26)
InChIKeyGFACIMFFRLOYSJ-UHFFFAOYSA-N
XLogP2.45
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea
CID 170702663
[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702569
(1-methylcyclopropyl) N-[3-(carbamoylamino)-1-methyl-2-oxo-8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-6-yl]carbamate
CID 177165050
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
[(3R)-8-[(2-chlorophenyl)methyl]-7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702566
1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
CID 56713052
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
1-adamantyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250775
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61395439

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea (CID 170702736) is [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea is CN1C(=O)C(NC(N)=O)Cc2cccc(Oc3ncccc3C(F)(F)F)c21.
What is the InChIKey of [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is GFACIMFFRLOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-24-13-9(8-11(15(24)25)23-16(21)26)4-2-6-12(13)27-14-10(17(18,19)20)5-3-7-22-14/h2-7,11H,8H2,1H3,(H3,21,23,26).
What are the key properties of [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea?
[1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 380.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-oxo-8-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 170702736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).