1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone

C12H13NO2 — CID 70592850

IUPAC1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone
SMILESCC(=O)C1(O)C=c2ccccc2=NC1C
InChIInChI=1S/C12H13NO2/c1-8-12(15,9(2)14)7-10-5-3-4-6-11(10)13-8/h3-8,15H,1-2H3
InChIKeyRIMFJFVNEFAUCG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.19
Rot. Bonds1

About 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone

1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone (PubChem CID 70592850) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone
PubChem CID70592850
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone
SMILESCC(=O)C1(O)C=c2ccccc2=NC1C
InChIInChI=1S/C12H13NO2/c1-8-12(15,9(2)14)7-10-5-3-4-6-11(10)13-8/h3-8,15H,1-2H3
InChIKeyRIMFJFVNEFAUCG-UHFFFAOYSA-N
XLogP-0.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone (CID 70592850) is 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone is CC(=O)C1(O)C=c2ccccc2=NC1C.
What is the InChIKey of 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone?
The InChIKey is RIMFJFVNEFAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-12(15,9(2)14)7-10-5-3-4-6-11(10)13-8/h3-8,15H,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone?
1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone is sourced from PubChem (CID 70592850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).