N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide

C18H10F5N3O2 — CID 86864533

IUPACN'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
SMILESO=C(NCc1cccc2cccnc12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F5N3O2/c19-10-11(20)13(22)16(14(23)12(10)21)26-18(28)17(27)25-7-9-4-1-3-8-5-2-6-24-15(8)9/h1-6H,7H2,(H,25,27)(H,26,28)
InChIKeyNGOFCFAGJPQLBV-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.19
Rot. Bonds3

About N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide

N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide (PubChem CID 86864533) has the molecular formula C18H10F5N3O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
PubChem CID86864533
Molecular FormulaC18H10F5N3O2
Molecular Weight395.29 g/mol
Exact Mass395.07
IUPAC NameN'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
SMILESO=C(NCc1cccc2cccnc12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F5N3O2/c19-10-11(20)13(22)16(14(23)12(10)21)26-18(28)17(27)25-7-9-4-1-3-8-5-2-6-24-15(8)9/h1-6H,7H2,(H,25,27)(H,26,28)
InChIKeyNGOFCFAGJPQLBV-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
CID 86864531
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
2-bromo-N-(quinolin-8-ylmethyl)pyridine-4-carboxamide
CID 103754997
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
The IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide (CID 86864533) is N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
The canonical SMILES for N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide is O=C(NCc1cccc2cccnc12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
The InChIKey is NGOFCFAGJPQLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O2/c19-10-11(20)13(22)16(14(23)12(10)21)26-18(28)17(27)25-7-9-4-1-3-8-5-2-6-24-15(8)9/h1-6H,7H2,(H,25,27)(H,26,28).
What are the key properties of N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide has a molecular weight of 395.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide is sourced from PubChem (CID 86864533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).