N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide

C16H11N3O3 — CID 71661517

IUPACN-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3ccccn3)nc2C1=O
InChIInChI=1S/C16H11N3O3/c1-9(20)18-13-8-14(21)10-5-6-12(19-15(10)16(13)22)11-4-2-3-7-17-11/h2-8H,1H3,(H,18,20)
InChIKeyKJDFEXMMIOTILQ-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.54
Rot. Bonds2

About N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide

N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide (PubChem CID 71661517) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide
PubChem CID71661517
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3ccccn3)nc2C1=O
InChIInChI=1S/C16H11N3O3/c1-9(20)18-13-8-14(21)10-5-6-12(19-15(10)16(13)22)11-4-2-3-7-17-11/h2-8H,1H3,(H,18,20)
InChIKeyKJDFEXMMIOTILQ-UHFFFAOYSA-N
XLogP1.54
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide?
The IUPAC name of N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide (CID 71661517) is N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide.
What is the SMILES notation for N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide?
The canonical SMILES for N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide is CC(=O)NC1=CC(=O)c2ccc(-c3ccccn3)nc2C1=O.
What is the InChIKey of N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide?
The InChIKey is KJDFEXMMIOTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c1-9(20)18-13-8-14(21)10-5-6-12(19-15(10)16(13)22)11-4-2-3-7-17-11/h2-8H,1H3,(H,18,20).
What are the key properties of N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide?
N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide has a molecular weight of 293.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dioxo-2-pyridin-2-ylquinolin-7-yl)acetamide is sourced from PubChem (CID 71661517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).