1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one

C18H19NO4 — CID 149248585

IUPAC1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
SMILESCCN1C(=O)C(OC)C(O)(c2ccccc2)c2cc(O)ccc21
InChIInChI=1S/C18H19NO4/c1-3-19-15-10-9-13(20)11-14(15)18(22,16(23-2)17(19)21)12-7-5-4-6-8-12/h4-11,16,20,22H,3H2,1-2H3
InChIKeyXNPDEFMEHRQWTJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.01
Rot. Bonds3

About 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one

1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one (PubChem CID 149248585) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
PubChem CID149248585
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
SMILESCCN1C(=O)C(OC)C(O)(c2ccccc2)c2cc(O)ccc21
InChIInChI=1S/C18H19NO4/c1-3-19-15-10-9-13(20)11-14(15)18(22,16(23-2)17(19)21)12-7-5-4-6-8-12/h4-11,16,20,22H,3H2,1-2H3
InChIKeyXNPDEFMEHRQWTJ-UHFFFAOYSA-N
XLogP2.01
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The IUPAC name of 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one (CID 149248585) is 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one.
What is the SMILES notation for 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The canonical SMILES for 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one is CCN1C(=O)C(OC)C(O)(c2ccccc2)c2cc(O)ccc21.
What is the InChIKey of 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The InChIKey is XNPDEFMEHRQWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-19-15-10-9-13(20)11-14(15)18(22,16(23-2)17(19)21)12-7-5-4-6-8-12/h4-11,16,20,22H,3H2,1-2H3.
What are the key properties of 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one is sourced from PubChem (CID 149248585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).