N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide

C18H13F2N3O2 — CID 86864531

IUPACN'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
SMILESO=C(NCc1cccc2cccnc12)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H13F2N3O2/c19-13-6-7-14(20)15(9-13)23-18(25)17(24)22-10-12-4-1-3-11-5-2-8-21-16(11)12/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyHDMRMNNGDFPYER-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.77
Rot. Bonds3

About N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide

N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide (PubChem CID 86864531) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
PubChem CID86864531
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
SMILESO=C(NCc1cccc2cccnc12)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H13F2N3O2/c19-13-6-7-14(20)15(9-13)23-18(25)17(24)22-10-12-4-1-3-11-5-2-8-21-16(11)12/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyHDMRMNNGDFPYER-UHFFFAOYSA-N
XLogP2.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3,4,5,6-pentafluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
CID 86864533
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111901821
N-(4-chloro-2-fluorophenyl)-2-quinolin-8-ylacetamide
CID 24663705
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide
CID 110922387
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide (CID 86864531) is N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide is O=C(NCc1cccc2cccnc12)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
The InChIKey is HDMRMNNGDFPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-13-6-7-14(20)15(9-13)23-18(25)17(24)22-10-12-4-1-3-11-5-2-8-21-16(11)12/h1-9H,10H2,(H,22,24)(H,23,25).
What are the key properties of N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide?
N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide has a molecular weight of 341.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide is sourced from PubChem (CID 86864531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).