N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide

C12H8N2O4 — CID 11586798

IUPACN-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(C=O)nc2C1=O
InChIInChI=1S/C12H8N2O4/c1-6(16)13-9-4-10(17)8-3-2-7(5-15)14-11(8)12(9)18/h2-5H,1H3,(H,13,16)
InChIKeyWPDTVUVXWYWPKA-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.29
Rot. Bonds2

About N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide

N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide (PubChem CID 11586798) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide
PubChem CID11586798
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC NameN-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(C=O)nc2C1=O
InChIInChI=1S/C12H8N2O4/c1-6(16)13-9-4-10(17)8-3-2-7(5-15)14-11(8)12(9)18/h2-5H,1H3,(H,13,16)
InChIKeyWPDTVUVXWYWPKA-UHFFFAOYSA-N
XLogP0.29
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide?
The IUPAC name of N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide (CID 11586798) is N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide.
What is the SMILES notation for N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide?
The canonical SMILES for N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide is CC(=O)NC1=CC(=O)c2ccc(C=O)nc2C1=O.
What is the InChIKey of N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide?
The InChIKey is WPDTVUVXWYWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c1-6(16)13-9-4-10(17)8-3-2-7(5-15)14-11(8)12(9)18/h2-5H,1H3,(H,13,16).
What are the key properties of N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide?
N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide has a molecular weight of 244.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-5,8-dioxoquinolin-7-yl)acetamide is sourced from PubChem (CID 11586798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).