[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate

C15H15NO4 — CID 174779588

IUPAC[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate
SMILESCC(=O)Oc1c(O)c2ccc(CC3CC3)cc2[nH]c1=O
InChIInChI=1S/C15H15NO4/c1-8(17)20-14-13(18)11-5-4-10(6-9-2-3-9)7-12(11)16-15(14)19/h4-5,7,9H,2-3,6H2,1H3,(H2,16,18,19)
InChIKeyGNTQYYOZDYBKPT-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.11
Rot. Bonds3

About [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate

[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate (PubChem CID 174779588) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate.

Molecular Properties

Compound Name[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate
PubChem CID174779588
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate
SMILESCC(=O)Oc1c(O)c2ccc(CC3CC3)cc2[nH]c1=O
InChIInChI=1S/C15H15NO4/c1-8(17)20-14-13(18)11-5-4-10(6-9-2-3-9)7-12(11)16-15(14)19/h4-5,7,9H,2-3,6H2,1H3,(H2,16,18,19)
InChIKeyGNTQYYOZDYBKPT-UHFFFAOYSA-N
XLogP2.11
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate?
The IUPAC name of [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate (CID 174779588) is [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate.
What is the SMILES notation for [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate?
The canonical SMILES for [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate is CC(=O)Oc1c(O)c2ccc(CC3CC3)cc2[nH]c1=O.
What is the InChIKey of [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate?
The InChIKey is GNTQYYOZDYBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-8(17)20-14-13(18)11-5-4-10(6-9-2-3-9)7-12(11)16-15(14)19/h4-5,7,9H,2-3,6H2,1H3,(H2,16,18,19).
What are the key properties of [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate?
[7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate has a molecular weight of 273.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinolin-3-yl] acetate is sourced from PubChem (CID 174779588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).