3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one

C15H19NO4 — CID 139717157

IUPAC3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
SMILESCCCCOc1c(O)c2ccc(OC)cc2n(C)c1=O
InChIInChI=1S/C15H19NO4/c1-4-5-8-20-14-13(17)11-7-6-10(19-3)9-12(11)16(2)15(14)18/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyOENKIICICSZCGT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.43
Rot. Bonds5

About 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one

3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one (PubChem CID 139717157) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
PubChem CID139717157
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
SMILESCCCCOc1c(O)c2ccc(OC)cc2n(C)c1=O
InChIInChI=1S/C15H19NO4/c1-4-5-8-20-14-13(17)11-7-6-10(19-3)9-12(11)16(2)15(14)18/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyOENKIICICSZCGT-UHFFFAOYSA-N
XLogP2.43
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one?
The IUPAC name of 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one (CID 139717157) is 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one is CCCCOc1c(O)c2ccc(OC)cc2n(C)c1=O.
What is the InChIKey of 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one?
The InChIKey is OENKIICICSZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-5-8-20-14-13(17)11-7-6-10(19-3)9-12(11)16(2)15(14)18/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one?
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 139717157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).