7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H16F2N2O2 — CID 16594592

IUPAC7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2/c1-10(11-2-4-12(19)5-3-11)21-18(24)15-9-17(23)22-16-8-13(20)6-7-14(15)16/h2-8,10,15H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyHWBWXCCWEILVTB-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.27
Rot. Bonds3

About 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 16594592) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID16594592
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2/c1-10(11-2-4-12(19)5-3-11)21-18(24)15-9-17(23)22-16-8-13(20)6-7-14(15)16/h2-8,10,15H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyHWBWXCCWEILVTB-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 16594592) is 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1.
What is the InChIKey of 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is HWBWXCCWEILVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-10(11-2-4-12(19)5-3-11)21-18(24)15-9-17(23)22-16-8-13(20)6-7-14(15)16/h2-8,10,15H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 16594592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).