2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide

C12H16N2O3 — CID 19760334

IUPAC2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide
SMILESCC1(O)CCCc2c1ccc(=O)n2CC(N)=O
InChIInChI=1S/C12H16N2O3/c1-12(17)6-2-3-9-8(12)4-5-11(16)14(9)7-10(13)15/h4-5,17H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyIWGGVBLGAXVEAW-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.12
Rot. Bonds2

About 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide

2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide (PubChem CID 19760334) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide
PubChem CID19760334
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide
SMILESCC1(O)CCCc2c1ccc(=O)n2CC(N)=O
InChIInChI=1S/C12H16N2O3/c1-12(17)6-2-3-9-8(12)4-5-11(16)14(9)7-10(13)15/h4-5,17H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyIWGGVBLGAXVEAW-UHFFFAOYSA-N
XLogP-0.12
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide?
The IUPAC name of 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide (CID 19760334) is 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide.
What is the SMILES notation for 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide?
The canonical SMILES for 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide is CC1(O)CCCc2c1ccc(=O)n2CC(N)=O.
What is the InChIKey of 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide?
The InChIKey is IWGGVBLGAXVEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(17)6-2-3-9-8(12)4-5-11(16)14(9)7-10(13)15/h4-5,17H,2-3,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide?
2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-5-methyl-2-oxo-7,8-dihydro-6H-quinolin-1-yl)acetamide is sourced from PubChem (CID 19760334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).