N-(2-methylquinolin-8-yl)dodecanamide

C22H32N2O — CID 5117333

IUPACN-(2-methylquinolin-8-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cccc2ccc(C)nc12
InChIInChI=1S/C22H32N2O/c1-3-4-5-6-7-8-9-10-11-15-21(25)24-20-14-12-13-19-17-16-18(2)23-22(19)20/h12-14,16-17H,3-11,15H2,1-2H3,(H,24,25)
InChIKeyAVFMLBCVFUZZQC-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.40
Rot. Bonds11

About N-(2-methylquinolin-8-yl)dodecanamide

N-(2-methylquinolin-8-yl)dodecanamide (PubChem CID 5117333) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)dodecanamide.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)dodecanamide
PubChem CID5117333
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-(2-methylquinolin-8-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cccc2ccc(C)nc12
InChIInChI=1S/C22H32N2O/c1-3-4-5-6-7-8-9-10-11-15-21(25)24-20-14-12-13-19-17-16-18(2)23-22(19)20/h12-14,16-17H,3-11,15H2,1-2H3,(H,24,25)
InChIKeyAVFMLBCVFUZZQC-UHFFFAOYSA-N
XLogP6.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.40
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 N-(2-methylquinolin-8-yl)dodecanamide?
The IUPAC name of N-(2-methylquinolin-8-yl)dodecanamide (CID 5117333) is N-(2-methylquinolin-8-yl)dodecanamide.
What is the SMILES notation for N-(2-methylquinolin-8-yl)dodecanamide?
The canonical SMILES for N-(2-methylquinolin-8-yl)dodecanamide is CCCCCCCCCCCC(=O)Nc1cccc2ccc(C)nc12.
What is the InChIKey of N-(2-methylquinolin-8-yl)dodecanamide?
The InChIKey is AVFMLBCVFUZZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-3-4-5-6-7-8-9-10-11-15-21(25)24-20-14-12-13-19-17-16-18(2)23-22(19)20/h12-14,16-17H,3-11,15H2,1-2H3,(H,24,25).
What are the key properties of N-(2-methylquinolin-8-yl)dodecanamide?
N-(2-methylquinolin-8-yl)dodecanamide has a molecular weight of 340.51 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-8-yl)dodecanamide is sourced from PubChem (CID 5117333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).