7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C19H16F4N2O3 — CID 47021219

IUPAC7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C19H16F4N2O3/c1-25(10-11-4-2-3-5-16(11)28-19(21,22)23)18(27)14-9-17(26)24-15-8-12(20)6-7-13(14)15/h2-8,14H,9-10H2,1H3,(H,24,26)
InChIKeyXSGZAUBMQNOOPZ-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.81
Rot. Bonds4

About 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 47021219) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID47021219
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C19H16F4N2O3/c1-25(10-11-4-2-3-5-16(11)28-19(21,22)23)18(27)14-9-17(26)24-15-8-12(20)6-7-13(14)15/h2-8,14H,9-10H2,1H3,(H,24,26)
InChIKeyXSGZAUBMQNOOPZ-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 47021219) is 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is XSGZAUBMQNOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c1-25(10-11-4-2-3-5-16(11)28-19(21,22)23)18(27)14-9-17(26)24-15-8-12(20)6-7-13(14)15/h2-8,14H,9-10H2,1H3,(H,24,26).
What are the key properties of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 396.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 47021219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).