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

C20H19F3N2O3 — CID 71842953

IUPACN-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide
SMILESCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H19F3N2O3/c1-2-11-25-17-9-6-15(12-14(17)5-10-18(25)26)24-19(27)13-3-7-16(8-4-13)28-20(21,22)23/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,24,27)
InChIKeyGHSQDWFAWQIUCE-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.53
Rot. Bonds5

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

N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 71842953) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide
PubChem CID71842953
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide
SMILESCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H19F3N2O3/c1-2-11-25-17-9-6-15(12-14(17)5-10-18(25)26)24-19(27)13-3-7-16(8-4-13)28-20(21,22)23/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,24,27)
InChIKeyGHSQDWFAWQIUCE-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide (CID 71842953) is N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide is CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21.
What is the InChIKey of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is GHSQDWFAWQIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-2-11-25-17-9-6-15(12-14(17)5-10-18(25)26)24-19(27)13-3-7-16(8-4-13)28-20(21,22)23/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,24,27).
What are the key properties of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide?
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 392.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71842953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).