N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

C11H12N2O3 — CID 21326390

IUPACN-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1O)CCC(=O)N2
InChIInChI=1S/C11H12N2O3/c1-6(14)12-9-4-3-8-7(11(9)16)2-5-10(15)13-8/h3-4,16H,2,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyXTUUTSMTLMLSIF-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.24
Rot. Bonds1

About N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (PubChem CID 21326390) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
PubChem CID21326390
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1O)CCC(=O)N2
InChIInChI=1S/C11H12N2O3/c1-6(14)12-9-4-3-8-7(11(9)16)2-5-10(15)13-8/h3-4,16H,2,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyXTUUTSMTLMLSIF-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (CID 21326390) is N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is CC(=O)Nc1ccc2c(c1O)CCC(=O)N2.
What is the InChIKey of N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The InChIKey is XTUUTSMTLMLSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6(14)12-9-4-3-8-7(11(9)16)2-5-10(15)13-8/h3-4,16H,2,5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide has a molecular weight of 220.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 21326390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).