4-heptyl-N-quinolin-3-ylbenzamide

C23H26N2O — CID 3884807

IUPAC4-heptyl-N-quinolin-3-ylbenzamide
SMILESCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H26N2O/c1-2-3-4-5-6-9-18-12-14-19(15-13-18)23(26)25-21-16-20-10-7-8-11-22(20)24-17-21/h7-8,10-17H,2-6,9H2,1H3,(H,25,26)
InChIKeyVJFYODCLTPGLMR-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.00
Rot. Bonds8

About 4-heptyl-N-quinolin-3-ylbenzamide

4-heptyl-N-quinolin-3-ylbenzamide (PubChem CID 3884807) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-heptyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-heptyl-N-quinolin-3-ylbenzamide
PubChem CID3884807
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name4-heptyl-N-quinolin-3-ylbenzamide
SMILESCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H26N2O/c1-2-3-4-5-6-9-18-12-14-19(15-13-18)23(26)25-21-16-20-10-7-8-11-22(20)24-17-21/h7-8,10-17H,2-6,9H2,1H3,(H,25,26)
InChIKeyVJFYODCLTPGLMR-UHFFFAOYSA-N
XLogP6.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.00
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-heptyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-heptyl-N-quinolin-3-ylbenzamide (CID 3884807) is 4-heptyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-heptyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-heptyl-N-quinolin-3-ylbenzamide is CCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-heptyl-N-quinolin-3-ylbenzamide?
The InChIKey is VJFYODCLTPGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-3-4-5-6-9-18-12-14-19(15-13-18)23(26)25-21-16-20-10-7-8-11-22(20)24-17-21/h7-8,10-17H,2-6,9H2,1H3,(H,25,26).
What are the key properties of 4-heptyl-N-quinolin-3-ylbenzamide?
4-heptyl-N-quinolin-3-ylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 3884807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).