2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide

C13H16N2O3 — CID 81104622

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H16N2O3/c1-14(2)13(18)8-15-10-4-3-5-11(16)9(10)6-7-12(15)17/h6-7H,3-5,8H2,1-2H3
InChIKeyWYHKHXJZSWJOBS-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.46
Rot. Bonds2

About 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide (PubChem CID 81104622) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide
PubChem CID81104622
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H16N2O3/c1-14(2)13(18)8-15-10-4-3-5-11(16)9(10)6-7-12(15)17/h6-7H,3-5,8H2,1-2H3
InChIKeyWYHKHXJZSWJOBS-UHFFFAOYSA-N
XLogP0.46
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide (CID 81104622) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide?
The InChIKey is WYHKHXJZSWJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14(2)13(18)8-15-10-4-3-5-11(16)9(10)6-7-12(15)17/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide has a molecular weight of 248.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 81104622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).