8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one

C14H17NO5 — CID 171905297

IUPAC8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OCC(O)OC)cccc12
InChIInChI=1S/C14H17NO5/c1-15-12(16)7-11(18-2)9-5-4-6-10(14(9)15)20-8-13(17)19-3/h4-7,13,17H,8H2,1-3H3
InChIKeyXDAWHYGCXSTTOW-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.89
Rot. Bonds5

About 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one

8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one (PubChem CID 171905297) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one
PubChem CID171905297
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OCC(O)OC)cccc12
InChIInChI=1S/C14H17NO5/c1-15-12(16)7-11(18-2)9-5-4-6-10(14(9)15)20-8-13(17)19-3/h4-7,13,17H,8H2,1-3H3
InChIKeyXDAWHYGCXSTTOW-UHFFFAOYSA-N
XLogP0.89
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one?
The IUPAC name of 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one (CID 171905297) is 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one is COc1cc(=O)n(C)c2c(OCC(O)OC)cccc12.
What is the InChIKey of 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one?
The InChIKey is XDAWHYGCXSTTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15-12(16)7-11(18-2)9-5-4-6-10(14(9)15)20-8-13(17)19-3/h4-7,13,17H,8H2,1-3H3.
What are the key properties of 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one?
8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one has a molecular weight of 279.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-2-methoxyethoxy)-4-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 171905297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).