1-methyl-2-undecylquinolin-4-one

C21H31NO — CID 5319811

IUPAC1-methyl-2-undecylquinolin-4-one
SMILESCCCCCCCCCCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3
InChIKeyZLIHBZFNMQLPOT-UHFFFAOYSA-N
MW313.48 g/mol
LogP5.61
Rot. Bonds10

About 1-methyl-2-undecylquinolin-4-one

1-methyl-2-undecylquinolin-4-one (PubChem CID 5319811) has the molecular formula C21H31NO and a molecular weight of 313.48 g/mol. Its IUPAC name is 1-methyl-2-undecylquinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-undecylquinolin-4-one
PubChem CID5319811
Molecular FormulaC21H31NO
Molecular Weight313.48 g/mol
Exact Mass313.24
IUPAC Name1-methyl-2-undecylquinolin-4-one
SMILESCCCCCCCCCCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3
InChIKeyZLIHBZFNMQLPOT-UHFFFAOYSA-N
XLogP5.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.48
LogP ≤ 55.61
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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Related Compounds

2-heptadecyl-1-methylquinolin-4-one
CID 53316624
1-methyl-2-[(E)-octadec-9-enyl]quinolin-4-one
CID 71589651
1-methyl-2-[(Z)-tetradec-3-enyl]quinolin-4-one
CID 50994736
1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one
CID 53319329
2-ethyl-1-methylquinolin-4-one
CID 15733010
1-methyl-2-[(E)-6-oxoundec-7-enyl]quinolin-4-one
CID 72707182
1-methyl-2-[(E)-8-oxotridec-9-enyl]quinolin-4-one
CID 72707184
1-methyl-2-(2-phenylethyl)quinolin-4-one
CID 165177826
1-propyl-2-undec-3-ynylquinolin-4-one
CID 71598092
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
CID 50994738
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-undecylquinolin-4-one?
The IUPAC name of 1-methyl-2-undecylquinolin-4-one (CID 5319811) is 1-methyl-2-undecylquinolin-4-one.
What is the SMILES notation for 1-methyl-2-undecylquinolin-4-one?
The canonical SMILES for 1-methyl-2-undecylquinolin-4-one is CCCCCCCCCCCc1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-undecylquinolin-4-one?
The InChIKey is ZLIHBZFNMQLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3.
What are the key properties of 1-methyl-2-undecylquinolin-4-one?
1-methyl-2-undecylquinolin-4-one has a molecular weight of 313.48 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-undecylquinolin-4-one is sourced from PubChem (CID 5319811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).