4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one

C18H17NO3 — CID 54687716

IUPAC4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
SMILESCOc1ccc(Cc2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H17NO3/c1-19-16-6-4-3-5-14(16)17(20)15(18(19)21)11-12-7-9-13(22-2)10-8-12/h3-10,20H,11H2,1-2H3
InChIKeyJVWNNFWSNRDOCX-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.84
Rot. Bonds3

About 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one

4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one (PubChem CID 54687716) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
PubChem CID54687716
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
SMILESCOc1ccc(Cc2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C18H17NO3/c1-19-16-6-4-3-5-14(16)17(20)15(18(19)21)11-12-7-9-13(22-2)10-8-12/h3-10,20H,11H2,1-2H3
InChIKeyJVWNNFWSNRDOCX-UHFFFAOYSA-N
XLogP2.84
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one (CID 54687716) is 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one is COc1ccc(Cc2c(O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
The InChIKey is JVWNNFWSNRDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19-16-6-4-3-5-14(16)17(20)15(18(19)21)11-12-7-9-13(22-2)10-8-12/h3-10,20H,11H2,1-2H3.
What are the key properties of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one?
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 54687716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).