2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one

C23H35NO3 — CID 86066332

IUPAC2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one
SMILESCOC1C(=O)c2ccccc2N=C1CCCCCCCCCCC(C)(C)O
InChIInChI=1S/C23H35NO3/c1-23(2,26)17-13-9-7-5-4-6-8-10-16-20-22(27-3)21(25)18-14-11-12-15-19(18)24-20/h11-12,14-15,22,26H,4-10,13,16-17H2,1-3H3
InChIKeyZAQWZIJBNRCGQD-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.64
Rot. Bonds12

About 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one

2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one (PubChem CID 86066332) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one.

Molecular Properties

Compound Name2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one
PubChem CID86066332
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one
SMILESCOC1C(=O)c2ccccc2N=C1CCCCCCCCCCC(C)(C)O
InChIInChI=1S/C23H35NO3/c1-23(2,26)17-13-9-7-5-4-6-8-10-16-20-22(27-3)21(25)18-14-11-12-15-19(18)24-20/h11-12,14-15,22,26H,4-10,13,16-17H2,1-3H3
InChIKeyZAQWZIJBNRCGQD-UHFFFAOYSA-N
XLogP5.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one?
The IUPAC name of 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one (CID 86066332) is 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one.
What is the SMILES notation for 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one?
The canonical SMILES for 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one is COC1C(=O)c2ccccc2N=C1CCCCCCCCCCC(C)(C)O.
What is the InChIKey of 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one?
The InChIKey is ZAQWZIJBNRCGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-23(2,26)17-13-9-7-5-4-6-8-10-16-20-22(27-3)21(25)18-14-11-12-15-19(18)24-20/h11-12,14-15,22,26H,4-10,13,16-17H2,1-3H3.
What are the key properties of 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one?
2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one has a molecular weight of 373.54 g/mol, XLogP of 5.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-hydroxy-11-methyldodecyl)-3-methoxy-3H-quinolin-4-one is sourced from PubChem (CID 86066332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).