N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide

C19H17F3N2O3 — CID 71842978

IUPACN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide
SMILESCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H17F3N2O3/c1-2-24-16-9-6-14(11-13(16)5-10-17(24)25)23-18(26)12-3-7-15(8-4-12)27-19(20,21)22/h3-4,6-9,11H,2,5,10H2,1H3,(H,23,26)
InChIKeyYEMWJSLWGWJJLR-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.14
Rot. Bonds4

About N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 71842978) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide
PubChem CID71842978
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide
SMILESCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H17F3N2O3/c1-2-24-16-9-6-14(11-13(16)5-10-17(24)25)23-18(26)12-3-7-15(8-4-12)27-19(20,21)22/h3-4,6-9,11H,2,5,10H2,1H3,(H,23,26)
InChIKeyYEMWJSLWGWJJLR-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide (CID 71842978) is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide is CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is YEMWJSLWGWJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-2-24-16-9-6-14(11-13(16)5-10-17(24)25)23-18(26)12-3-7-15(8-4-12)27-19(20,21)22/h3-4,6-9,11H,2,5,10H2,1H3,(H,23,26).
What are the key properties of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 378.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71842978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).