N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide

C13H14N2O3 — CID 54680872

IUPACN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-7(2)12(17)15-10-11(16)8-5-3-4-6-9(8)14-13(10)18/h3-7H,1-2H3,(H,15,17)(H2,14,16,18)
InChIKeyQPCNORQBQSXLQL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.83
Rot. Bonds2

About N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide

N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide (PubChem CID 54680872) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide
PubChem CID54680872
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-7(2)12(17)15-10-11(16)8-5-3-4-6-9(8)14-13(10)18/h3-7H,1-2H3,(H,15,17)(H2,14,16,18)
InChIKeyQPCNORQBQSXLQL-UHFFFAOYSA-N
XLogP1.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide?
The IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide (CID 54680872) is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide?
The InChIKey is QPCNORQBQSXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7(2)12(17)15-10-11(16)8-5-3-4-6-9(8)14-13(10)18/h3-7H,1-2H3,(H,15,17)(H2,14,16,18).
What are the key properties of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide?
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide has a molecular weight of 246.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 54680872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).