4-octyl-N-quinolin-3-ylbenzamide

C24H28N2O — CID 3904199

IUPAC4-octyl-N-quinolin-3-ylbenzamide
SMILESCCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C24H28N2O/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)24(27)26-22-17-21-11-8-9-12-23(21)25-18-22/h8-9,11-18H,2-7,10H2,1H3,(H,26,27)
InChIKeyQXGPHMISVLJYDS-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.39
Rot. Bonds9

About 4-octyl-N-quinolin-3-ylbenzamide

4-octyl-N-quinolin-3-ylbenzamide (PubChem CID 3904199) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-octyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-octyl-N-quinolin-3-ylbenzamide
PubChem CID3904199
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-octyl-N-quinolin-3-ylbenzamide
SMILESCCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C24H28N2O/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)24(27)26-22-17-21-11-8-9-12-23(21)25-18-22/h8-9,11-18H,2-7,10H2,1H3,(H,26,27)
InChIKeyQXGPHMISVLJYDS-UHFFFAOYSA-N
XLogP6.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-octyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-octyl-N-quinolin-3-ylbenzamide (CID 3904199) is 4-octyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-octyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-octyl-N-quinolin-3-ylbenzamide is CCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-octyl-N-quinolin-3-ylbenzamide?
The InChIKey is QXGPHMISVLJYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)24(27)26-22-17-21-11-8-9-12-23(21)25-18-22/h8-9,11-18H,2-7,10H2,1H3,(H,26,27).
What are the key properties of 4-octyl-N-quinolin-3-ylbenzamide?
4-octyl-N-quinolin-3-ylbenzamide has a molecular weight of 360.50 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 3904199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).