N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C23H17F4N3O3 — CID 71144596

IUPACN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NC(c3ccc(OC(F)(F)F)cc3)c3ncccc3F)ccc2N1
InChIInChI=1S/C23H17F4N3O3/c24-17-2-1-11-28-21(17)20(13-3-7-16(8-4-13)33-23(25,26)27)30-22(32)15-5-9-18-14(12-15)6-10-19(31)29-18/h1-5,7-9,11-12,20H,6,10H2,(H,29,31)(H,30,32)
InChIKeyRMHOSJLGVLIFOO-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 71144596) has the molecular formula C23H17F4N3O3 and a molecular weight of 459.40 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID71144596
Molecular FormulaC23H17F4N3O3
Molecular Weight459.40 g/mol
Exact Mass459.12
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NC(c3ccc(OC(F)(F)F)cc3)c3ncccc3F)ccc2N1
InChIInChI=1S/C23H17F4N3O3/c24-17-2-1-11-28-21(17)20(13-3-7-16(8-4-13)33-23(25,26)27)30-22(32)15-5-9-18-14(12-15)6-10-19(31)29-18/h1-5,7-9,11-12,20H,6,10H2,(H,29,31)(H,30,32)
InChIKeyRMHOSJLGVLIFOO-UHFFFAOYSA-N
XLogP4.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 71144596) is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NC(c3ccc(OC(F)(F)F)cc3)c3ncccc3F)ccc2N1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is RMHOSJLGVLIFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O3/c24-17-2-1-11-28-21(17)20(13-3-7-16(8-4-13)33-23(25,26)27)30-22(32)15-5-9-18-14(12-15)6-10-19(31)29-18/h1-5,7-9,11-12,20H,6,10H2,(H,29,31)(H,30,32).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 459.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 71144596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).