3-ethyl-4,7-dihydroxy-1H-quinolin-2-one

C11H11NO3 — CID 134815930

IUPAC3-ethyl-4,7-dihydroxy-1H-quinolin-2-one
SMILESCCc1c(O)c2ccc(O)cc2[nH]c1=O
InChIInChI=1S/C11H11NO3/c1-2-7-10(14)8-4-3-6(13)5-9(8)12-11(7)15/h3-5,13H,2H2,1H3,(H2,12,14,15)
InChIKeyHBXZIVYCWUYXPJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.50
Rot. Bonds1

About 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one

3-ethyl-4,7-dihydroxy-1H-quinolin-2-one (PubChem CID 134815930) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-4,7-dihydroxy-1H-quinolin-2-one
PubChem CID134815930
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-ethyl-4,7-dihydroxy-1H-quinolin-2-one
SMILESCCc1c(O)c2ccc(O)cc2[nH]c1=O
InChIInChI=1S/C11H11NO3/c1-2-7-10(14)8-4-3-6(13)5-9(8)12-11(7)15/h3-5,13H,2H2,1H3,(H2,12,14,15)
InChIKeyHBXZIVYCWUYXPJ-UHFFFAOYSA-N
XLogP1.50
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one (CID 134815930) is 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one is CCc1c(O)c2ccc(O)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one?
The InChIKey is HBXZIVYCWUYXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-7-10(14)8-4-3-6(13)5-9(8)12-11(7)15/h3-5,13H,2H2,1H3,(H2,12,14,15).
What are the key properties of 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one?
3-ethyl-4,7-dihydroxy-1H-quinolin-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,7-dihydroxy-1H-quinolin-2-one is sourced from PubChem (CID 134815930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).