1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one

C23H33NO — CID 53319329

IUPAC1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one
SMILESCCCCCCCCC/C=C\CCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C23H33NO/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/h11-12,14-15,17-19H,3-10,13,16H2,1-2H3/b12-11-
InChIKeyFNONGKFVCGCWHK-QXMHVHEDSA-N
MW339.52 g/mol
LogP6.17
Rot. Bonds11

About 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one

1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one (PubChem CID 53319329) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one
PubChem CID53319329
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one
SMILESCCCCCCCCC/C=C\CCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C23H33NO/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/h11-12,14-15,17-19H,3-10,13,16H2,1-2H3/b12-11-
InChIKeyFNONGKFVCGCWHK-QXMHVHEDSA-N
XLogP6.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(Z)-tetradec-3-enyl]quinolin-4-one
CID 50994736
1-methyl-2-[(E)-octadec-9-enyl]quinolin-4-one
CID 71589651
1-methyl-2-undecylquinolin-4-one
CID 5319811
2-heptadecyl-1-methylquinolin-4-one
CID 53316624
1-methyl-2-[(E)-undec-1-enyl]quinolin-4-one
CID 50994738
1-methyl-2-[(1E,3E)-pentadeca-1,3-dienyl]quinolin-4-one
CID 53324548
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
2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
CID 139586265
1-methyl-2-(2-phenylethyl)quinolin-4-one
CID 165177826
2-[(E)-dodec-1-enyl]-1-ethylquinolin-4-one
CID 53248820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one?
The IUPAC name of 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one (CID 53319329) is 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one.
What is the SMILES notation for 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one?
The canonical SMILES for 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one is CCCCCCCCC/C=C\CCc1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one?
The InChIKey is FNONGKFVCGCWHK-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H33NO/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/h11-12,14-15,17-19H,3-10,13,16H2,1-2H3/b12-11-.
What are the key properties of 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one?
1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one has a molecular weight of 339.52 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-tridec-3-enyl]quinolin-4-one is sourced from PubChem (CID 53319329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).