N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C20H15F4N3O2 — CID 118273487

IUPACN-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(NC1CC(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H15F4N3O2/c21-13-8-14(9-13)26-19(28)17-4-1-11-7-15(3-5-16(11)27-17)29-18-6-2-12(10-25-18)20(22,23)24/h1-7,10,13-14H,8-9H2,(H,26,28)
InChIKeyIAHWYYIYLGDODQ-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.67
Rot. Bonds4

About N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273487) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273487
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC NameN-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(NC1CC(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H15F4N3O2/c21-13-8-14(9-13)26-19(28)17-4-1-11-7-15(3-5-16(11)27-17)29-18-6-2-12(10-25-18)20(22,23)24/h1-7,10,13-14H,8-9H2,(H,26,28)
InChIKeyIAHWYYIYLGDODQ-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273487) is N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is O=C(NC1CC(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.
What is the InChIKey of N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is IAHWYYIYLGDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-13-8-14(9-13)26-19(28)17-4-1-11-7-15(3-5-16(11)27-17)29-18-6-2-12(10-25-18)20(22,23)24/h1-7,10,13-14H,8-9H2,(H,26,28).
What are the key properties of N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).