N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide

C13H16N2O3 — CID 10060562

IUPACN-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1O)C(C)(C)CC(=O)N2
InChIInChI=1S/C13H16N2O3/c1-7(16)14-9-5-4-8-11(12(9)18)13(2,3)6-10(17)15-8/h4-5,18H,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyHIIQRTVKDPJDPA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.97
Rot. Bonds1

About N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide

N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide (PubChem CID 10060562) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide
PubChem CID10060562
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1O)C(C)(C)CC(=O)N2
InChIInChI=1S/C13H16N2O3/c1-7(16)14-9-5-4-8-11(12(9)18)13(2,3)6-10(17)15-8/h4-5,18H,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyHIIQRTVKDPJDPA-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.97
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-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide?
The IUPAC name of N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide (CID 10060562) is N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide is CC(=O)Nc1ccc2c(c1O)C(C)(C)CC(=O)N2.
What is the InChIKey of N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide?
The InChIKey is HIIQRTVKDPJDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(16)14-9-5-4-8-11(12(9)18)13(2,3)6-10(17)15-8/h4-5,18H,6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide?
N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide is sourced from PubChem (CID 10060562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).