8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide

C16H8F4N2O — CID 176887404

IUPAC8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(F)c(F)c(F)c3F)cccc2c1
InChIInChI=1S/C16H8F4N2O/c17-11-5-10(12(18)14(20)13(11)19)9-3-1-2-7-4-8(16(21)23)6-22-15(7)9/h1-6H,(H2,21,23)
InChIKeyYFDCJWBTQQIMRC-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.56
Rot. Bonds2

About 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide

8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide (PubChem CID 176887404) has the molecular formula C16H8F4N2O and a molecular weight of 320.25 g/mol. Its IUPAC name is 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide
PubChem CID176887404
Molecular FormulaC16H8F4N2O
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC Name8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(F)c(F)c(F)c3F)cccc2c1
InChIInChI=1S/C16H8F4N2O/c17-11-5-10(12(18)14(20)13(11)19)9-3-1-2-7-4-8(16(21)23)6-22-15(7)9/h1-6H,(H2,21,23)
InChIKeyYFDCJWBTQQIMRC-UHFFFAOYSA-N
XLogP3.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide?
The IUPAC name of 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide (CID 176887404) is 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide?
The canonical SMILES for 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide is NC(=O)c1cnc2c(-c3cc(F)c(F)c(F)c3F)cccc2c1.
What is the InChIKey of 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide?
The InChIKey is YFDCJWBTQQIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N2O/c17-11-5-10(12(18)14(20)13(11)19)9-3-1-2-7-4-8(16(21)23)6-22-15(7)9/h1-6H,(H2,21,23).
What are the key properties of 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide?
8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide is sourced from PubChem (CID 176887404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).