7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide

C17H15FN2O2 — CID 42889539

IUPAC7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C17H15FN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-16(21)19-15-9-11(18)7-8-13(14)15/h2-9,14H,10H2,1H3,(H,19,21)
InChIKeyMRBHWECLSIKNHH-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.91
Rot. Bonds2

About 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 42889539) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID42889539
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C17H15FN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-16(21)19-15-9-11(18)7-8-13(14)15/h2-9,14H,10H2,1H3,(H,19,21)
InChIKeyMRBHWECLSIKNHH-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide (CID 42889539) is 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide is CN(C(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccccc1.
What is the InChIKey of 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MRBHWECLSIKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-16(21)19-15-9-11(18)7-8-13(14)15/h2-9,14H,10H2,1H3,(H,19,21).
What are the key properties of 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42889539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).