3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one

C18H17NO4 — CID 11066899

IUPAC3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one
SMILESCOc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(C)c2c1
InChIInChI=1S/C18H17NO4/c1-19-16-8-13(22-2)9-17(23-3)15(16)10-14(18(19)21)11-4-6-12(20)7-5-11/h4-10,20H,1-3H3
InChIKeyZDDUTRUNORAGJX-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one

3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one (PubChem CID 11066899) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one
PubChem CID11066899
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one
SMILESCOc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(C)c2c1
InChIInChI=1S/C18H17NO4/c1-19-16-8-13(22-2)9-17(23-3)15(16)10-14(18(19)21)11-4-6-12(20)7-5-11/h4-10,20H,1-3H3
InChIKeyZDDUTRUNORAGJX-UHFFFAOYSA-N
XLogP2.93
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one (CID 11066899) is 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one is COc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(C)c2c1.
What is the InChIKey of 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one?
The InChIKey is ZDDUTRUNORAGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-19-16-8-13(22-2)9-17(23-3)15(16)10-14(18(19)21)11-4-6-12(20)7-5-11/h4-10,20H,1-3H3.
What are the key properties of 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one?
3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one is sourced from PubChem (CID 11066899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).