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

C18H16F3N3O3 — CID 170702663

IUPAC[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)[C@H](NC(N)=O)Cc2cccc(Oc3ccccc3C(F)(F)F)c21
InChIInChI=1S/C18H16F3N3O3/c1-24-15-10(9-12(16(24)25)23-17(22)26)5-4-8-14(15)27-13-7-3-2-6-11(13)18(19,20)21/h2-8,12H,9H2,1H3,(H3,22,23,26)/t12-/m1/s1
InChIKeyJZCMTBRIPOSJNV-GFCCVEGCSA-N
MW379.34 g/mol
LogP3.05
Rot. Bonds3

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

[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea (PubChem CID 170702663) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea
PubChem CID170702663
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)[C@H](NC(N)=O)Cc2cccc(Oc3ccccc3C(F)(F)F)c21
InChIInChI=1S/C18H16F3N3O3/c1-24-15-10(9-12(16(24)25)23-17(22)26)5-4-8-14(15)27-13-7-3-2-6-11(13)18(19,20)21/h2-8,12H,9H2,1H3,(H3,22,23,26)/t12-/m1/s1
InChIKeyJZCMTBRIPOSJNV-GFCCVEGCSA-N
XLogP3.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea (CID 170702663) is [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea is CN1C(=O)[C@H](NC(N)=O)Cc2cccc(Oc3ccccc3C(F)(F)F)c21.
What is the InChIKey of [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is JZCMTBRIPOSJNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-24-15-10(9-12(16(24)25)23-17(22)26)5-4-8-14(15)27-13-7-3-2-6-11(13)18(19,20)21/h2-8,12H,9H2,1H3,(H3,22,23,26)/t12-/m1/s1.
What are the key properties of [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea?
[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 379.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 170702663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).