8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide

C17H13F3N2O2 — CID 155433544

IUPAC8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc(F)c(F)c2F)c2cccnc21
InChIInChI=1S/C17H13F3N2O2/c18-12-5-3-9(14(19)15(12)20)8-22-17(24)11-4-6-13(23)16-10(11)2-1-7-21-16/h1-3,5,7,11H,4,6,8H2,(H,22,24)
InChIKeyIEQUMDVBVUXFBQ-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.88
Rot. Bonds3

About 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide

8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide (PubChem CID 155433544) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide.

Molecular Properties

Compound Name8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide
PubChem CID155433544
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc(F)c(F)c2F)c2cccnc21
InChIInChI=1S/C17H13F3N2O2/c18-12-5-3-9(14(19)15(12)20)8-22-17(24)11-4-6-13(23)16-10(11)2-1-7-21-16/h1-3,5,7,11H,4,6,8H2,(H,22,24)
InChIKeyIEQUMDVBVUXFBQ-UHFFFAOYSA-N
XLogP2.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide?
The IUPAC name of 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide (CID 155433544) is 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide.
What is the SMILES notation for 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide?
The canonical SMILES for 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide is O=C1CCC(C(=O)NCc2ccc(F)c(F)c2F)c2cccnc21.
What is the InChIKey of 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide?
The InChIKey is IEQUMDVBVUXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-12-5-3-9(14(19)15(12)20)8-22-17(24)11-4-6-13(23)16-10(11)2-1-7-21-16/h1-3,5,7,11H,4,6,8H2,(H,22,24).
What are the key properties of 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide?
8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide is sourced from PubChem (CID 155433544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).