1-methyl-2-tridecylquinolin-4-one

C23H35NO — CID 5322031

IUPAC1-methyl-2-tridecylquinolin-4-one
SMILESCCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3
InChIKeyDWHCRAGHDDLXEM-UHFFFAOYSA-N
MW341.54 g/mol
LogP6.39
Rot. Bonds12

About 1-methyl-2-tridecylquinolin-4-one

1-methyl-2-tridecylquinolin-4-one (PubChem CID 5322031) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-methyl-2-tridecylquinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-tridecylquinolin-4-one
PubChem CID5322031
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name1-methyl-2-tridecylquinolin-4-one
SMILESCCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3
InChIKeyDWHCRAGHDDLXEM-UHFFFAOYSA-N
XLogP6.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.39
H-Bond Donors ≤ 50
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 1-methyl-2-tridecylquinolin-4-one?
The IUPAC name of 1-methyl-2-tridecylquinolin-4-one (CID 5322031) is 1-methyl-2-tridecylquinolin-4-one.
What is the SMILES notation for 1-methyl-2-tridecylquinolin-4-one?
The canonical SMILES for 1-methyl-2-tridecylquinolin-4-one is CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-tridecylquinolin-4-one?
The InChIKey is DWHCRAGHDDLXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3.
What are the key properties of 1-methyl-2-tridecylquinolin-4-one?
1-methyl-2-tridecylquinolin-4-one has a molecular weight of 341.54 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-tridecylquinolin-4-one is sourced from PubChem (CID 5322031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).