2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane

C19H19F3N2O2 — CID 178005121

IUPAC2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane
SMILESCC.NC(=O)CN1C(=O)CC(c2ccc(F)cc2)c2c1ccc(F)c2F
InChIInChI=1S/C17H13F3N2O2.C2H6/c18-10-3-1-9(2-4-10)11-7-15(24)22(8-14(21)23)13-6-5-12(19)17(20)16(11)13;1-2/h1-6,11H,7-8H2,(H2,21,23);1-2H3
InChIKeyIZAAHSCDTZRHRE-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.48
Rot. Bonds3

About 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane

2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane (PubChem CID 178005121) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane.

Molecular Properties

Compound Name2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane
PubChem CID178005121
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane
SMILESCC.NC(=O)CN1C(=O)CC(c2ccc(F)cc2)c2c1ccc(F)c2F
InChIInChI=1S/C17H13F3N2O2.C2H6/c18-10-3-1-9(2-4-10)11-7-15(24)22(8-14(21)23)13-6-5-12(19)17(20)16(11)13;1-2/h1-6,11H,7-8H2,(H2,21,23);1-2H3
InChIKeyIZAAHSCDTZRHRE-UHFFFAOYSA-N
XLogP3.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane?
The IUPAC name of 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane (CID 178005121) is 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane.
What is the SMILES notation for 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane?
The canonical SMILES for 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane is CC.NC(=O)CN1C(=O)CC(c2ccc(F)cc2)c2c1ccc(F)c2F.
What is the InChIKey of 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane?
The InChIKey is IZAAHSCDTZRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2.C2H6/c18-10-3-1-9(2-4-10)11-7-15(24)22(8-14(21)23)13-6-5-12(19)17(20)16(11)13;1-2/h1-6,11H,7-8H2,(H2,21,23);1-2H3.
What are the key properties of 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane?
2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane has a molecular weight of 364.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-difluoro-4-(4-fluorophenyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetamide;ethane is sourced from PubChem (CID 178005121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).