N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide

C23H28N2O2 — CID 42779532

IUPACN-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide
SMILESCCCCCCCCN(Cc1ccc2ccccc2n1)C(=O)c1ccco1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-5-6-9-16-25(23(26)22-13-10-17-27-22)18-20-15-14-19-11-7-8-12-21(19)24-20/h7-8,10-15,17H,2-6,9,16,18H2,1H3
InChIKeyFJGUMJJPZMAFFL-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.83
Rot. Bonds10

About N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide

N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide (PubChem CID 42779532) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide
PubChem CID42779532
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide
SMILESCCCCCCCCN(Cc1ccc2ccccc2n1)C(=O)c1ccco1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-5-6-9-16-25(23(26)22-13-10-17-27-22)18-20-15-14-19-11-7-8-12-21(19)24-20/h7-8,10-15,17H,2-6,9,16,18H2,1H3
InChIKeyFJGUMJJPZMAFFL-UHFFFAOYSA-N
XLogP5.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide (CID 42779532) is N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide is CCCCCCCCN(Cc1ccc2ccccc2n1)C(=O)c1ccco1.
What is the InChIKey of N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is FJGUMJJPZMAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-4-5-6-9-16-25(23(26)22-13-10-17-27-22)18-20-15-14-19-11-7-8-12-21(19)24-20/h7-8,10-15,17H,2-6,9,16,18H2,1H3.
What are the key properties of N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide?
N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42779532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).