2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate

C11H10NO4- — CID 22998642

IUPAC2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate
SMILESO=C([O-])CC1Cc2ccc(O)cc2NC1=O
InChIInChI=1S/C11H11NO4/c13-8-2-1-6-3-7(4-10(14)15)11(16)12-9(6)5-8/h1-2,5,7,13H,3-4H2,(H,12,16)(H,14,15)/p-1
InChIKeySEMWTIRBHPFOJB-UHFFFAOYSA-M
MW220.20 g/mol
LogP-0.36
Rot. Bonds2

About 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate

2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate (PubChem CID 22998642) has the molecular formula C11H10NO4- and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Name2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate
PubChem CID22998642
Molecular FormulaC11H10NO4-
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate
SMILESO=C([O-])CC1Cc2ccc(O)cc2NC1=O
InChIInChI=1S/C11H11NO4/c13-8-2-1-6-3-7(4-10(14)15)11(16)12-9(6)5-8/h1-2,5,7,13H,3-4H2,(H,12,16)(H,14,15)/p-1
InChIKeySEMWTIRBHPFOJB-UHFFFAOYSA-M
XLogP-0.36
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate?
The IUPAC name of 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate (CID 22998642) is 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate.
What is the SMILES notation for 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate?
The canonical SMILES for 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate is O=C([O-])CC1Cc2ccc(O)cc2NC1=O.
What is the InChIKey of 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate?
The InChIKey is SEMWTIRBHPFOJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO4/c13-8-2-1-6-3-7(4-10(14)15)11(16)12-9(6)5-8/h1-2,5,7,13H,3-4H2,(H,12,16)(H,14,15)/p-1.
What are the key properties of 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate?
2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate has a molecular weight of 220.20 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 22998642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).