N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide

C18H11F3N2O3 — CID 71661513

IUPACN-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C1=O
InChIInChI=1S/C18H11F3N2O3/c1-9(24)22-14-8-15(25)12-6-7-13(23-16(12)17(14)26)10-2-4-11(5-3-10)18(19,20)21/h2-8H,1H3,(H,22,24)
InChIKeyVQMFXWYFTIVQFI-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.17
Rot. Bonds2

About N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide

N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide (PubChem CID 71661513) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide
PubChem CID71661513
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC NameN-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C1=O
InChIInChI=1S/C18H11F3N2O3/c1-9(24)22-14-8-15(25)12-6-7-13(23-16(12)17(14)26)10-2-4-11(5-3-10)18(19,20)21/h2-8H,1H3,(H,22,24)
InChIKeyVQMFXWYFTIVQFI-UHFFFAOYSA-N
XLogP3.17
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide?
The IUPAC name of N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide (CID 71661513) is N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide.
What is the SMILES notation for N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide?
The canonical SMILES for N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide is CC(=O)NC1=CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C1=O.
What is the InChIKey of N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide?
The InChIKey is VQMFXWYFTIVQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c1-9(24)22-14-8-15(25)12-6-7-13(23-16(12)17(14)26)10-2-4-11(5-3-10)18(19,20)21/h2-8H,1H3,(H,22,24).
What are the key properties of N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide?
N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide has a molecular weight of 360.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dioxo-2-[4-(trifluoromethyl)phenyl]quinolin-7-yl]acetamide is sourced from PubChem (CID 71661513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).