N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide

C13H10N2O4 — CID 15757688

IUPACN-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1=CC(=O)c2ncccc2C1=O
InChIInChI=1S/C13H10N2O4/c1-7(16)5-11(18)15-9-6-10(17)12-8(13(9)19)3-2-4-14-12/h2-4,6H,5H2,1H3,(H,15,18)
InChIKeyQYLLEWCFZOJKMS-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.44
Rot. Bonds3

About N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide

N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide (PubChem CID 15757688) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide
PubChem CID15757688
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC NameN-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1=CC(=O)c2ncccc2C1=O
InChIInChI=1S/C13H10N2O4/c1-7(16)5-11(18)15-9-6-10(17)12-8(13(9)19)3-2-4-14-12/h2-4,6H,5H2,1H3,(H,15,18)
InChIKeyQYLLEWCFZOJKMS-UHFFFAOYSA-N
XLogP0.44
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(prop-1-en-2-ylamino)quinoline-5,8-dione
CID 146506137
N-(2-methyl-5,8-dioxoquinolin-6-yl)acetamide
CID 15321227
6-(3,4-difluoroanilino)quinoline-5,8-dione
CID 15537861
N-[3-[2-[(5,8-dioxoquinolin-6-yl)amino]phenyl]-3-oxopropyl]-2,2,2-trifluoroacetamide
CID 10873446
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
8-(4-methoxyanilino)quinoline-5,6-dione
CID 12805925
4,7-phenanthroline-5,6-dione
CID 6764
N-[4-(dimethylamino)phenyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201938
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
N-(2,6-difluorophenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201972
3-oxo-N-phenylbutanamide
CID 161275903
methyl 2-[[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]benzoate
CID 113201934

Frequently Asked Questions

What is the IUPAC name of N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide?
The IUPAC name of N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide (CID 15757688) is N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide.
What is the SMILES notation for N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide?
The canonical SMILES for N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide is CC(=O)CC(=O)NC1=CC(=O)c2ncccc2C1=O.
What is the InChIKey of N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide?
The InChIKey is QYLLEWCFZOJKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-7(16)5-11(18)15-9-6-10(17)12-8(13(9)19)3-2-4-14-12/h2-4,6H,5H2,1H3,(H,15,18).
What are the key properties of N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide?
N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide has a molecular weight of 258.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dioxoquinolin-6-yl)-3-oxobutanamide is sourced from PubChem (CID 15757688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).