8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one

C16H19NO4 — CID 10732163

IUPAC8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one
SMILESCOc1c(/C=C/C(C)(C)O)c(=O)n(C)c2c(O)cccc12
InChIInChI=1S/C16H19NO4/c1-16(2,20)9-8-11-14(21-4)10-6-5-7-12(18)13(10)17(3)15(11)19/h5-9,18,20H,1-4H3/b9-8+
InChIKeyXNGZHRGTDDFHFY-CMDGGOBGSA-N
MW289.33 g/mol
LogP2.04
Rot. Bonds3

About 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one

8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one (PubChem CID 10732163) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one
PubChem CID10732163
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one
SMILESCOc1c(/C=C/C(C)(C)O)c(=O)n(C)c2c(O)cccc12
InChIInChI=1S/C16H19NO4/c1-16(2,20)9-8-11-14(21-4)10-6-5-7-12(18)13(10)17(3)15(11)19/h5-9,18,20H,1-4H3/b9-8+
InChIKeyXNGZHRGTDDFHFY-CMDGGOBGSA-N
XLogP2.04
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one?
The IUPAC name of 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one (CID 10732163) is 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one is COc1c(/C=C/C(C)(C)O)c(=O)n(C)c2c(O)cccc12.
What is the InChIKey of 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one?
The InChIKey is XNGZHRGTDDFHFY-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H19NO4/c1-16(2,20)9-8-11-14(21-4)10-6-5-7-12(18)13(10)17(3)15(11)19/h5-9,18,20H,1-4H3/b9-8+.
What are the key properties of 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one?
8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 10732163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).