N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide

C12H10N2O3 — CID 15321227

IUPACN-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2nc(C)ccc2C1=O
InChIInChI=1S/C12H10N2O3/c1-6-3-4-8-11(13-6)10(16)5-9(12(8)17)14-7(2)15/h3-5H,1-2H3,(H,14,15)
InChIKeyVFWLJRXGIGEBCC-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.79
Rot. Bonds1

About N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide

N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide (PubChem CID 15321227) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide
PubChem CID15321227
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2nc(C)ccc2C1=O
InChIInChI=1S/C12H10N2O3/c1-6-3-4-8-11(13-6)10(16)5-9(12(8)17)14-7(2)15/h3-5H,1-2H3,(H,14,15)
InChIKeyVFWLJRXGIGEBCC-UHFFFAOYSA-N
XLogP0.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide?
The IUPAC name of N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide (CID 15321227) is N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide?
The canonical SMILES for N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide is CC(=O)NC1=CC(=O)c2nc(C)ccc2C1=O.
What is the InChIKey of N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide?
The InChIKey is VFWLJRXGIGEBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-6-3-4-8-11(13-6)10(16)5-9(12(8)17)14-7(2)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide?
N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide has a molecular weight of 230.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide is sourced from PubChem (CID 15321227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).