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

C13H16N2O3 — CID 81109283

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H16N2O3/c1-2-14-12(17)8-15-10-4-3-5-11(16)9(10)6-7-13(15)18/h6-7H,2-5,8H2,1H3,(H,14,17)
InChIKeyKDFNWHYDNVTULN-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.50
Rot. Bonds3

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

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide (PubChem CID 81109283) 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-ethylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide
PubChem CID81109283
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H16N2O3/c1-2-14-12(17)8-15-10-4-3-5-11(16)9(10)6-7-13(15)18/h6-7H,2-5,8H2,1H3,(H,14,17)
InChIKeyKDFNWHYDNVTULN-UHFFFAOYSA-N
XLogP0.50
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
CID 81108822
1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104415
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide
CID 81108836
1-(2-methylprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 10398444
1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109377
methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107719
ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107603
(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid
CID 81107878
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 103072812
1-but-3-ynyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81107885

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide (CID 81109283) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide?
The InChIKey is KDFNWHYDNVTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-14-12(17)8-15-10-4-3-5-11(16)9(10)6-7-13(15)18/h6-7H,2-5,8H2,1H3,(H,14,17).
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethylacetamide has a molecular weight of 248.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 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-ethylacetamide is sourced from PubChem (CID 81109283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).