1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

C20H20F3N3O2 — CID 135144208

IUPAC1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)N1C(=O)CCc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H20F3N3O2/c1-12(2)26-17-9-8-16(11-13(17)3-10-18(26)27)25-19(28)24-15-6-4-14(5-7-15)20(21,22)23/h4-9,11-12H,3,10H2,1-2H3,(H2,24,25,28)
InChIKeyZOQTVAHLZASHEP-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.04
Rot. Bonds3

About 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 135144208) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID135144208
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)N1C(=O)CCc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H20F3N3O2/c1-12(2)26-17-9-8-16(11-13(17)3-10-18(26)27)25-19(28)24-15-6-4-14(5-7-15)20(21,22)23/h4-9,11-12H,3,10H2,1-2H3,(H2,24,25,28)
InChIKeyZOQTVAHLZASHEP-UHFFFAOYSA-N
XLogP5.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135144213
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043901
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
CID 54242778
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-tert-butyl-3-[1-[1-(3-chlorophenyl)ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 170748090
1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
CID 170748322
1-tert-butyl-3-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinolin-6-yl]urea
CID 170748606
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-thiophen-2-ylurea
CID 30376060
1-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24945761

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 135144208) is 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC(C)N1C(=O)CCc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is ZOQTVAHLZASHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-12(2)26-17-9-8-16(11-13(17)3-10-18(26)27)25-19(28)24-15-6-4-14(5-7-15)20(21,22)23/h4-9,11-12H,3,10H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 391.39 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 135144208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).