N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C17H17F3N2O3 — CID 128708299

IUPACN-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C1CCCc2nc(NC(=O)C3C4CCC(O4)C3C(F)(F)F)ccc21
InChIInChI=1S/C17H17F3N2O3/c18-17(19,20)15-12-6-5-11(25-12)14(15)16(24)22-13-7-4-8-9(21-13)2-1-3-10(8)23/h4,7,11-12,14-15H,1-3,5-6H2,(H,21,22,24)
InChIKeyLOJAOKLHNRQWKJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.89
Rot. Bonds2

About N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128708299) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128708299
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC NameN-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C1CCCc2nc(NC(=O)C3C4CCC(O4)C3C(F)(F)F)ccc21
InChIInChI=1S/C17H17F3N2O3/c18-17(19,20)15-12-6-5-11(25-12)14(15)16(24)22-13-7-4-8-9(21-13)2-1-3-10(8)23/h4,7,11-12,14-15H,1-3,5-6H2,(H,21,22,24)
InChIKeyLOJAOKLHNRQWKJ-UHFFFAOYSA-N
XLogP2.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 128708299) is N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C1CCCc2nc(NC(=O)C3C4CCC(O4)C3C(F)(F)F)ccc21.
What is the InChIKey of N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LOJAOKLHNRQWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c18-17(19,20)15-12-6-5-11(25-12)14(15)16(24)22-13-7-4-8-9(21-13)2-1-3-10(8)23/h4,7,11-12,14-15H,1-3,5-6H2,(H,21,22,24).
What are the key properties of N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128708299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).